Chloromethyl 4-chlorobutanoate
TL;DR: Chloromethyl 4-chlorobutanoate (CAS 80418-49-1) is a chemical compound with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl 4-chlorobutanoate
Also Known As: Chloromethyl 4-chlorobutanoate, Butanoic acid,4-chloro-,chloromethyl ester, Butanoic acid,4-chloro-, chloromethyl ester, RefChem:333833
| Molecular Formula | C5H8Cl2O2 |
|---|---|
| Molecular Weight | 169.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 169.99013 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 80418-49-1 |
|---|---|
| SMILES | C(CC(=O)OCCl)CCl |
| InChIKey | BTBPRWMCIBAAST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl 4-chlorobutanoate (CAS 80418-49-1), with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol. IUPAC: chloromethyl 4-chlorobutanoate.
Chemical Property Profile of Chloromethyl 4-chlorobutanoate
Property Insights of Chloromethyl 4-chlorobutanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl 4-chlorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Chloromethyl 4-chlorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 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 Chloromethyl 4-chlorobutanoate?
The CAS number of Chloromethyl 4-chlorobutanoate is 80418-49-1.
What is the molecular formula of Chloromethyl 4-chlorobutanoate?
The molecular formula of Chloromethyl 4-chlorobutanoate is C5H8Cl2O2.
What is the molecular weight of Chloromethyl 4-chlorobutanoate?
The molecular weight of Chloromethyl 4-chlorobutanoate is 169.99 g/mol.
Where can I buy Chloromethyl 4-chlorobutanoate?
You can request a quote for Chloromethyl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.