Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester
TL;DR: Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester (CAS 3153-32-0) is a chemical compound with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-chlorobutanoate
Also Known As: tert-butyl 4-chlorobutanoate, t-butyl 4-chlorobutyrate, t-butyl-4-chlorobutyrate, tert-butyl4-chlorobutanoate, tert.-butyl 4-chlorobutanoate
| Molecular Formula | C8H15ClO2 |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.07605 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 3153-32-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCCCl |
| InChIKey | CRSVVUBCNZULGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester (CAS 3153-32-0), with molecular formula C8H15ClO2 and molecular weight 178.08 g/mol. IUPAC: tert-butyl 4-chlorobutanoate.
Chemical Property Profile of Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester
Property Insights of Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-chloro-, 1,1-dimethylethyl 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, 4-chloro-, 1,1-dimethylethyl ester?
The CAS number of Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester is 3153-32-0.
What is the molecular formula of Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester?
The molecular formula of Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester is C8H15ClO2.
What is the molecular weight of Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester?
The molecular weight of Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester is 178.08 g/mol.
Where can I buy Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester?
You can request a quote for Butanoic acid, 4-chloro-, 1,1-dimethylethyl 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, 4-chloro-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-chloro-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.