3-Methylphenyl carbonochloridate
TL;DR: 3-Methylphenyl carbonochloridate (CAS 29430-39-5) 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.
(3-methylphenyl) carbonochloridate
Also Known As: m-Tolyl chloroformate, m-tolyl carbonochloridate, 3-methylphenyl carbonochloridate, 3-methylphenyl chloroformate, m-tolylcarbonochloridate
| 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 | 147.0 |
Chemical Identifiers
| CAS Number | 29430-39-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)Cl |
| InChIKey | JXYLZACPFSDBPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylphenyl carbonochloridate (CAS 29430-39-5), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: (3-methylphenyl) carbonochloridate.
Chemical Property Profile of 3-Methylphenyl carbonochloridate
Property Insights of 3-Methylphenyl carbonochloridate
The XLogP value of 3.2 indicates that 3-Methylphenyl carbonochloridate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylphenyl carbonochloridate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylphenyl carbonochloridate 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 3-Methylphenyl carbonochloridate?
The CAS number of 3-Methylphenyl carbonochloridate is 29430-39-5.
What is the molecular formula of 3-Methylphenyl carbonochloridate?
The molecular formula of 3-Methylphenyl carbonochloridate is C8H7ClO2.
What is the molecular weight of 3-Methylphenyl carbonochloridate?
The molecular weight of 3-Methylphenyl carbonochloridate is 170.01 g/mol.
Where can I buy 3-Methylphenyl carbonochloridate?
You can request a quote for 3-Methylphenyl carbonochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylphenyl carbonochloridate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylphenyl carbonochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.