Ethyl (S)-4-chloro-3-hydroxybutanoate

Name: Ethyl (S)-4-chloro-3-hydroxybutanoate
SKU: PI86728850
Rating: 5 (1 reviews)

Catalog NumberPI86728850

CAS Number86728-85-0

CategoryDermatological Agents Intermediates

Product Details

Purity	97%
Molecular Formula	C6H11ClO3
Molecular Weight	166.60
Molar Refractivity	38.2

Download COA Download MSDS

Other Identifiers

Pubchem ID	7019277
InChI Key	ZAJNMXDBJKCCAT-YFKPBYRVSA-N
MDL Number	MFCD00211241

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	0.87
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.83
Ghose	None
GI Absorption	High
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.04 cm/s
Log Po/w (iLOGP)	1.64
Log Po/w (MLOGP)	0.75
Log Po/w (SILICOS-IT)	1.02
Log Po/w (WLOGP)	0.54
Log Po/w (XLOGP3)	0.39
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	5
Synthetic Accessibility	2.64
Topological Polar Surface Area	46.53 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