o-Cumenyl chloroformate
TL;DR: o-Cumenyl chloroformate (CAS 42571-81-3) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-ylphenyl) carbonochloridate
Also Known As: o-Cumenyl chloroformate, 2-isopropylphenyl chloroformate, EINECS 255-888-4, 2-(propan-2-yl)phenyl chloroformate, 2-isopropylphenyl carbonochloridate
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 3.5476 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 307.54797 |
Chemical Identifiers
| CAS Number | 42571-81-3 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1OC(=O)Cl |
Product Overview
o-Cumenyl chloroformate (CAS 42571-81-3), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: (2-propan-2-ylphenyl) carbonochloridate.
Chemical Property Profile of o-Cumenyl chloroformate
Property Insights of o-Cumenyl chloroformate
The XLogP value of 3.5476 indicates that o-Cumenyl chloroformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, o-Cumenyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Cumenyl chloroformate 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 o-Cumenyl chloroformate?
The CAS number of o-Cumenyl chloroformate is 42571-81-3.
What is the molecular formula of o-Cumenyl chloroformate?
The molecular formula of o-Cumenyl chloroformate is C10H11ClO2.
What is the molecular weight of o-Cumenyl chloroformate?
The molecular weight of o-Cumenyl chloroformate is 198.04 g/mol.
Where can I buy o-Cumenyl chloroformate?
You can request a quote for o-Cumenyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cumenyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for o-Cumenyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.