4,4-Dimethyldihydro-2H-pyran-2,6(3H)-dione

Name: 4,4-Dimethyldihydro-2H-pyran-2,6(3H)-dione
SKU: PI4160821
Rating: 5 (1 reviews)

Cat. No.: PI4160821

Product Details Other Identifiers Computed Properties

CAS	4160-82-1
Purity	98%
Molecular Formula	C7H10O3
Linear Formula	CH2C(CH3)2CH2CO2CO
Molecular Weight	142.15
Molar Refractivity	34.87

Pubchem ID	77813
InChI Key	HIJQFTSZBHDYKW-UHFFFAOYSA-N
MDL Number	MFCD00006684

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	0
Topological Polar Surface Area	43.37 Å²
Heavy Atom Count	10
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.71
Log Po/w (iLOGP)	1.28
Log Po/w (XLOGP3)	0.73
Log Po/w (WLOGP)	0.88
Log Po/w (MLOGP)	1.06
Log Po/w (SILICOS-IT)	1.64
Consensus Log Po/w	1.12
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.65 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	2.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.54

* 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

Verification Code *