Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester
TL;DR: Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester (CAS 88606-67-1) is a chemical compound with molecular formula C8H14Cl2O2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl 3-methylbutanoate
Also Known As: 1,3-dichloropropan-2-yl 3-methylbutanoate, Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester, Butanoic acid,3-methyl-,2-chloro-1-(chloromethyl)ethyl ester
| Molecular Formula | C8H14Cl2O2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.03708 |
| Heavy Atoms | 12 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 88606-67-1 |
|---|---|
| SMILES | CC(C)CC(=O)OC(CCl)CCl |
| InChIKey | SNAXAHQPMUSTMV-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester (CAS 88606-67-1), with molecular formula C8H14Cl2O2 and molecular weight 212.04 g/mol. IUPAC: 1,3-dichloropropan-2-yl 3-methylbutanoate.
Chemical Property Profile of Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester
Property Insights of Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl 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-methyl-, 2-chloro-1-(chloromethyl)ethyl ester?
The CAS number of Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester is 88606-67-1.
What is the molecular formula of Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester?
The molecular formula of Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester is C8H14Cl2O2.
What is the molecular weight of Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester?
The molecular weight of Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester is 212.04 g/mol.
Where can I buy Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester?
You can request a quote for Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl 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-methyl-, 2-chloro-1-(chloromethyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-methyl-, 2-chloro-1-(chloromethyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.