1-Methylethyl 4-chlorobutanoate
TL;DR: 1-Methylethyl 4-chlorobutanoate (CAS 3153-34-2) 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.
propan-2-yl 4-chlorobutanoate
Also Known As: ISOPROPYL 4-CHLOROBUTANOATE, propan-2-yl 4-chlorobutanoate, Vilazodone Impurity 7, isopropyl 4-chlorobutyrate, ISO-PROPYLCHLOROBUTYRATE
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 1.8 |
| 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 | 102.0 |
Chemical Identifiers
| CAS Number | 3153-34-2 |
|---|---|
| SMILES | CC(C)OC(=O)CCCCl |
| InChIKey | JNUHPPXYHXKRFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylethyl 4-chlorobutanoate (CAS 3153-34-2), with molecular formula C7H13ClO2 and molecular weight 164.06 g/mol. IUPAC: propan-2-yl 4-chlorobutanoate.
Chemical Property Profile of 1-Methylethyl 4-chlorobutanoate
Property Insights of 1-Methylethyl 4-chlorobutanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylethyl 4-chlorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylethyl 4-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylethyl 4-chlorobutanoate 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 1-Methylethyl 4-chlorobutanoate?
The CAS number of 1-Methylethyl 4-chlorobutanoate is 3153-34-2.
What is the molecular formula of 1-Methylethyl 4-chlorobutanoate?
The molecular formula of 1-Methylethyl 4-chlorobutanoate is C7H13ClO2.
What is the molecular weight of 1-Methylethyl 4-chlorobutanoate?
The molecular weight of 1-Methylethyl 4-chlorobutanoate is 164.06 g/mol.
Where can I buy 1-Methylethyl 4-chlorobutanoate?
You can request a quote for 1-Methylethyl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.