Acetic acid, chloro-, 1-methylbutyl ester
TL;DR: Acetic acid, chloro-, 1-methylbutyl ester (CAS 90380-52-2) 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.
pentan-2-yl 2-chloroacetate
Also Known As: pentan-2-yl 2-chloroacetate, Pentan-2-yl chloroacetate, Chloroacetic acid, 2-pentyl ester, 1-Methylbutyl chloroacetate #, Acetic acid, chloro-, 1-methylbutyl ester
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 90380-52-2 |
|---|---|
| SMILES | CCCC(C)OC(=O)CCl |
| InChIKey | IYMXUCSCPWQCFH-UHFFFAOYSA-N |
Product Overview
Acetic acid, chloro-, 1-methylbutyl ester (CAS 90380-52-2), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: pentan-2-yl 2-chloroacetate.
Chemical Property Profile of Acetic acid, chloro-, 1-methylbutyl ester
Property Insights of Acetic acid, chloro-, 1-methylbutyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, chloro-, 1-methylbutyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, chloro-, 1-methylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, chloro-, 1-methylbutyl 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 Acetic acid, chloro-, 1-methylbutyl ester?
The CAS number of Acetic acid, chloro-, 1-methylbutyl ester is 90380-52-2.
What is the molecular formula of Acetic acid, chloro-, 1-methylbutyl ester?
The molecular formula of Acetic acid, chloro-, 1-methylbutyl ester is C7H13ClO2.
What is the molecular weight of Acetic acid, chloro-, 1-methylbutyl ester?
The molecular weight of Acetic acid, chloro-, 1-methylbutyl ester is 164.06 g/mol.
Where can I buy Acetic acid, chloro-, 1-methylbutyl ester?
You can request a quote for Acetic acid, chloro-, 1-methylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, chloro-, 1-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, chloro-, 1-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.