Butanoic acid, 3-chloro, 1-methylethyl ester
TL;DR: Butanoic acid, 3-chloro, 1-methylethyl ester (CAS 62108-73-0) is a chemical compound with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-chlorobutanoate
Also Known As: propan-2-yl 3-chlorobutanoate, 3-chloro-butyric acid isopropyl ester, Butanoic acid, 3-chloro, 1-methylethyl ester
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 62108-73-0 |
|---|---|
| SMILES | CC(C)OC(=O)CC(C)Cl |
| InChIKey | RRJXSIDJOSFDSU-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 3-chloro, 1-methylethyl ester (CAS 62108-73-0), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: propan-2-yl 3-chlorobutanoate.
Chemical Property Profile of Butanoic acid, 3-chloro, 1-methylethyl ester
Property Insights of Butanoic acid, 3-chloro, 1-methylethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-chloro, 1-methylethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 3-chloro, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-chloro, 1-methylethyl ester has 0 hydrogen bond donor(s) and 2 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 Butanoic acid, 3-chloro, 1-methylethyl ester?
The CAS number of Butanoic acid, 3-chloro, 1-methylethyl ester is 62108-73-0.
What is the molecular formula of Butanoic acid, 3-chloro, 1-methylethyl ester?
The molecular formula of Butanoic acid, 3-chloro, 1-methylethyl ester is C7H13ClO2.
What is the molecular weight of Butanoic acid, 3-chloro, 1-methylethyl ester?
The molecular weight of Butanoic acid, 3-chloro, 1-methylethyl ester is 164.06 g/mol.
Where can I buy Butanoic acid, 3-chloro, 1-methylethyl ester?
You can request a quote for Butanoic acid, 3-chloro, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-chloro, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-chloro, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.