2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone 3,5-Dibenzoate

Name: 2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone 3,5-Dibenzoate
SKU: PI122111017
Rating: 5 (1 reviews)

Catalog NumberPI122111017

CAS Number122111-01-7

CategoryAntineoplastics Intermediates

2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid γ-Lactone 3,5-Dibenzoate

Product Details

Synonyms	((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl)methyl benzoate
Purity	95%
Molecular Formula	C19H14F2O6
Molecular Weight	376.31
Molar Refractivity	87.06

Download COA Download MSDS

Other Identifiers

Pubchem ID	9821015
InChI Key	SHHNEUNVMZNOID-HUUCEWRRSA-N
MDL Number	MFCD08458308

Computed Properties

Aromatic Heavy Atoms Number	12
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	3.23
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.21
Ghose	None
GI Absorption	High
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.9 cm/s
Log Po/w (iLOGP)	2.81
Log Po/w (MLOGP)	2.83
Log Po/w (SILICOS-IT)	3.26
Log Po/w (WLOGP)	3.47
Log Po/w (XLOGP3)	3.79
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	7
Synthetic Accessibility	3.65
Topological Polar Surface Area	78.9 Å²
Veber	0.0

* Our products are for research use only.

Get in Touch

We're glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description