Lactic acid, 2-chloroallyl ester
TL;DR: Lactic acid, 2-chloroallyl ester (CAS 5394-08-1) 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.
2-chloroprop-2-enyl 2-hydroxypropanoate
Also Known As: 2-Chloroallyl lactate, Lactic acid, 2-chloroallyl ester, 2-chloroprop-2-en-1-yl 2-hydroxypropanoate, lactic acid-(2-chloro-allyl ester), 2-chloroprop-2-enyl 2-hydroxypropanoate
| Molecular Formula | C6H9ClO3 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.02402 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 5394-08-1 |
|---|---|
| SMILES | CC(C(=O)OCC(=C)Cl)O |
| InChIKey | CBIBRFIMMPMUTK-UHFFFAOYSA-N |
Product Overview
Lactic acid, 2-chloroallyl ester (CAS 5394-08-1), with molecular formula C6H9ClO3 and molecular weight 164.02 g/mol. IUPAC: 2-chloroprop-2-enyl 2-hydroxypropanoate.
Chemical Property Profile of Lactic acid, 2-chloroallyl ester
Property Insights of Lactic acid, 2-chloroallyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lactic acid, 2-chloroallyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Lactic acid, 2-chloroallyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Lactic acid, 2-chloroallyl 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 Lactic acid, 2-chloroallyl ester?
The CAS number of Lactic acid, 2-chloroallyl ester is 5394-08-1.
What is the molecular formula of Lactic acid, 2-chloroallyl ester?
The molecular formula of Lactic acid, 2-chloroallyl ester is C6H9ClO3.
What is the molecular weight of Lactic acid, 2-chloroallyl ester?
The molecular weight of Lactic acid, 2-chloroallyl ester is 164.02 g/mol.
Where can I buy Lactic acid, 2-chloroallyl ester?
You can request a quote for Lactic acid, 2-chloroallyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lactic acid, 2-chloroallyl ester?
Yes, KEHONG BIO provides custom synthesis services for Lactic acid, 2-chloroallyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.