2-Propenoic acid, 3-chloro-2-hydroxypropyl ester
TL;DR: 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester (CAS 3326-90-7) is a chemical compound with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl) prop-2-enoate
Also Known As: 3-Chloro-2-hydroxypropyl acrylate, (3-chloro-2-hydroxypropyl) prop-2-enoate, 2-HYDROXY-3-CHLOROPROPYL ACRYLATE, 3-Chloro-2-hydroxypropyl 2-propenoate, 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester
| Molecular Formula | C6H9ClO3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.02402 |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 3326-90-7 |
|---|---|
| SMILES | C=CC(=O)OCC(CCl)O |
| InChIKey | POTYORUTRLSAGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-chloro-2-hydroxypropyl ester (CAS 3326-90-7), with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol. IUPAC: (3-chloro-2-hydroxypropyl) prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester
Property Insights of 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester?
The CAS number of 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester is 3326-90-7.
What is the molecular formula of 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester?
The molecular formula of 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester is C6H9ClO3.
What is the molecular weight of 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester?
The molecular weight of 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester is 164.02 g/mol.
Where can I buy 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester?
You can request a quote for 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-chloro-2-hydroxypropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.