o-sec-Butylphenyl chloroformate
TL;DR: o-sec-Butylphenyl chloroformate (CAS 42572-11-2) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-butan-2-ylphenyl) carbonochloridate
Also Known As: o-sec-Butylphenyl chloroformate, o-sec-butylphenylchloroformate, EINECS 255-891-0, (2-butan-2-ylphenyl) carbonochloridate, 2-(Butan-2-yl)phenyl carbonochloridate
| Molecular Formula | C11H13ClO2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 3.9377 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06041 |
| Heavy Atoms | 14 |
| Complexity | 322.8185 |
Chemical Identifiers
| CAS Number | 42572-11-2 |
|---|---|
| SMILES | CCC(C)C1=CC=CC=C1OC(=O)Cl |
Product Overview
o-sec-Butylphenyl chloroformate (CAS 42572-11-2), with molecular formula C11H13ClO2 and molecular weight 212.06 g/mol. IUPAC: (2-butan-2-ylphenyl) carbonochloridate.
Chemical Property Profile of o-sec-Butylphenyl chloroformate
Property Insights of o-sec-Butylphenyl chloroformate
The XLogP value of 3.9377 indicates that o-sec-Butylphenyl 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-sec-Butylphenyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-sec-Butylphenyl 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-sec-Butylphenyl chloroformate?
The CAS number of o-sec-Butylphenyl chloroformate is 42572-11-2.
What is the molecular formula of o-sec-Butylphenyl chloroformate?
The molecular formula of o-sec-Butylphenyl chloroformate is C11H13ClO2.
What is the molecular weight of o-sec-Butylphenyl chloroformate?
The molecular weight of o-sec-Butylphenyl chloroformate is 212.06 g/mol.
Where can I buy o-sec-Butylphenyl chloroformate?
You can request a quote for o-sec-Butylphenyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-sec-Butylphenyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for o-sec-Butylphenyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.