Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate
TL;DR: Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate (CAS 127675-62-1) is a chemical compound with molecular formula C8H13ClO4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S)-3-acetyloxy-4-chlorobutanoate
Also Known As: Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate, Ethyl (3R)-3-acetyloxy-4-chloro-butanoate
| Molecular Formula | C8H13ClO4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 1.1101 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.05023 |
| Heavy Atoms | 13 |
| Complexity | 180.98283 |
Chemical Identifiers
| CAS Number | 127675-62-1 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](CCl)OC(=O)C |
Product Overview
Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate (CAS 127675-62-1), with molecular formula C8H13ClO4 and molecular weight 208.05 g/mol. IUPAC: ethyl (3S)-3-acetyloxy-4-chlorobutanoate.
Chemical Property Profile of Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate
Property Insights of Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate
The XLogP value of 1.1101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate has 0 hydrogen bond donor(s) and 4 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 Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate?
The CAS number of Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate is 127675-62-1.
What is the molecular formula of Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate?
The molecular formula of Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate is C8H13ClO4.
What is the molecular weight of Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate?
The molecular weight of Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate is 208.05 g/mol.
Where can I buy Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate?
You can request a quote for Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3S)-3-(acetyloxy)-4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.