p-Tolyl chloroformate
TL;DR: p-Tolyl chloroformate (CAS 937-62-2) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) carbonochloridate
Also Known As: p-Tolyl chloroformate, 4-Methylphenyl chloroformate, Tolyl chloroformate, p-Tolylchloroformate, 4-tolyl chloroformate
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 937-62-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)Cl |
| InChIKey | XOFZPIYYMJUNRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Tolyl chloroformate (CAS 937-62-2), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: (4-methylphenyl) carbonochloridate.
Chemical Property Profile of p-Tolyl chloroformate
Property Insights of p-Tolyl chloroformate
The XLogP value of 3.2 indicates that p-Tolyl 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, p-Tolyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Tolyl 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 p-Tolyl chloroformate?
The CAS number of p-Tolyl chloroformate is 937-62-2.
What is the molecular formula of p-Tolyl chloroformate?
The molecular formula of p-Tolyl chloroformate is C8H7ClO2.
What is the molecular weight of p-Tolyl chloroformate?
The molecular weight of p-Tolyl chloroformate is 170.01 g/mol.
Where can I buy p-Tolyl chloroformate?
You can request a quote for p-Tolyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for p-Tolyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.