Formic acid, chloro-, 2-chloro-1-methylethyl ester
TL;DR: Formic acid, chloro-, 2-chloro-1-methylethyl ester (CAS 817-80-1) is a chemical compound with molecular formula C4H6Cl2O2 and molecular weight 155.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloropropan-2-yl carbonochloridate
Also Known As: 1-chloropropan-2-yl chloroformate, 1-chloropropan-2-yl carbonochloridate, Formic acid, chloro-, 2-chloro-1-methylethyl ester, Chloroformic acid 2-chloro-1-methylethyl ester, Chloroformic acid 2-chloro-1-methylethyl
| Molecular Formula | C4H6Cl2O2 |
|---|---|
| Molecular Weight | 155.97 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.97449 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 817-80-1 |
|---|---|
| SMILES | CC(CCl)OC(=O)Cl |
| InChIKey | JPKOCPNXQPSKAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Formic acid, chloro-, 2-chloro-1-methylethyl ester (CAS 817-80-1), with molecular formula C4H6Cl2O2 and molecular weight 155.97 g/mol. IUPAC: 1-chloropropan-2-yl carbonochloridate.
Chemical Property Profile of Formic acid, chloro-, 2-chloro-1-methylethyl ester
Property Insights of Formic acid, chloro-, 2-chloro-1-methylethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Formic acid, chloro-, 2-chloro-1-methylethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Formic acid, chloro-, 2-chloro-1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Formic acid, chloro-, 2-chloro-1-methylethyl 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 Formic acid, chloro-, 2-chloro-1-methylethyl ester?
The CAS number of Formic acid, chloro-, 2-chloro-1-methylethyl ester is 817-80-1.
What is the molecular formula of Formic acid, chloro-, 2-chloro-1-methylethyl ester?
The molecular formula of Formic acid, chloro-, 2-chloro-1-methylethyl ester is C4H6Cl2O2.
What is the molecular weight of Formic acid, chloro-, 2-chloro-1-methylethyl ester?
The molecular weight of Formic acid, chloro-, 2-chloro-1-methylethyl ester is 155.97 g/mol.
Where can I buy Formic acid, chloro-, 2-chloro-1-methylethyl ester?
You can request a quote for Formic acid, chloro-, 2-chloro-1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Formic acid, chloro-, 2-chloro-1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Formic acid, chloro-, 2-chloro-1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.