1-Cyano-1-methylethyl chloroformate
TL;DR: 1-Cyano-1-methylethyl chloroformate (CAS 13162-04-4) is a chemical compound with molecular formula C5H6ClNO2 and molecular weight 147.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanopropan-2-yl carbonochloridate
Also Known As: 1-cyano-1-methylethyl chloroformate, 2-cyanopropan-2-yl carbonochloridate, 2-cyanopropan-2-yl Chloroformate, chloroformic acid 2-methyllactonitrile ester, Carbonochloridic acid, 1-cyano-1-methylethyl ester
| Molecular Formula | C5H6ClNO2 |
|---|---|
| Molecular Weight | 147.01 g/mol |
| LogP | 1.66398 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.00871 |
| Heavy Atoms | 9 |
| Complexity | 158.83116 |
Chemical Identifiers
| CAS Number | 13162-04-4 |
|---|---|
| SMILES | CC(C)(C#N)OC(=O)Cl |
Product Overview
1-Cyano-1-methylethyl chloroformate (CAS 13162-04-4), with molecular formula C5H6ClNO2 and molecular weight 147.01 g/mol. IUPAC: 2-cyanopropan-2-yl carbonochloridate.
Chemical Property Profile of 1-Cyano-1-methylethyl chloroformate
Property Insights of 1-Cyano-1-methylethyl chloroformate
The XLogP value of 1.66398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-1-methylethyl chloroformate. With a topological polar surface area (TPSA) of 50.09 Ų, 1-Cyano-1-methylethyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-1-methylethyl chloroformate has 0 hydrogen bond donor(s) and 3 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-Cyano-1-methylethyl chloroformate?
The CAS number of 1-Cyano-1-methylethyl chloroformate is 13162-04-4.
What is the molecular formula of 1-Cyano-1-methylethyl chloroformate?
The molecular formula of 1-Cyano-1-methylethyl chloroformate is C5H6ClNO2.
What is the molecular weight of 1-Cyano-1-methylethyl chloroformate?
The molecular weight of 1-Cyano-1-methylethyl chloroformate is 147.01 g/mol.
Where can I buy 1-Cyano-1-methylethyl chloroformate?
You can request a quote for 1-Cyano-1-methylethyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-1-methylethyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-1-methylethyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.