o-Isopropoxyphenyl chloroformate
TL;DR: o-Isopropoxyphenyl chloroformate (CAS 42572-19-0) is a chemical compound with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-yloxyphenyl) carbonochloridate
Also Known As: o-Isopropoxyphenyl chloroformate, isopropoxy-phenyl chlorocarbonate, o-Isopropoxyphenyl chlorocarbonate, 2-isopropoxyphenyl carbonochloridate, 2-ISOPROPOXYPHENYL CHLOROFORMATE
| Molecular Formula | C10H11ClO3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.03967 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 42572-19-0 |
|---|---|
| SMILES | CC(C)OC1=CC=CC=C1OC(=O)Cl |
| InChIKey | LCZRGRFZVSOZLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Isopropoxyphenyl chloroformate (CAS 42572-19-0), with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol. IUPAC: (2-propan-2-yloxyphenyl) carbonochloridate.
Chemical Property Profile of o-Isopropoxyphenyl chloroformate
Property Insights of o-Isopropoxyphenyl chloroformate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Isopropoxyphenyl chloroformate. With a topological polar surface area (TPSA) of 35.5 Ų, o-Isopropoxyphenyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Isopropoxyphenyl 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 o-Isopropoxyphenyl chloroformate?
The CAS number of o-Isopropoxyphenyl chloroformate is 42572-19-0.
What is the molecular formula of o-Isopropoxyphenyl chloroformate?
The molecular formula of o-Isopropoxyphenyl chloroformate is C10H11ClO3.
What is the molecular weight of o-Isopropoxyphenyl chloroformate?
The molecular weight of o-Isopropoxyphenyl chloroformate is 214.04 g/mol.
Where can I buy o-Isopropoxyphenyl chloroformate?
You can request a quote for o-Isopropoxyphenyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Isopropoxyphenyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for o-Isopropoxyphenyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.