(3-Chlorophenyl) methyl carbonate
TL;DR: (3-Chlorophenyl) methyl carbonate (CAS 1847-96-7) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl) methyl carbonate
Also Known As: 3-Chlorophenyl methyl carbonate, Carbonic acid m-chlorophenyl=methyl, (3-chlorophenyl) methyl carbonate, 3-Chlorophenyl methyl carbonate #, Carbonic acid, m-chlorophenyl methyl ester
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 1847-96-7 |
|---|---|
| SMILES | COC(=O)OC1=CC(=CC=C1)Cl |
| InChIKey | YLCITVITFATKDX-UHFFFAOYSA-N |
Product Overview
(3-Chlorophenyl) methyl carbonate (CAS 1847-96-7), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: (3-chlorophenyl) methyl carbonate.
Chemical Property Profile of (3-Chlorophenyl) methyl carbonate
Property Insights of (3-Chlorophenyl) methyl carbonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chlorophenyl) methyl carbonate. With a topological polar surface area (TPSA) of 35.5 Ų, (3-Chlorophenyl) methyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chlorophenyl) methyl carbonate 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 (3-Chlorophenyl) methyl carbonate?
The CAS number of (3-Chlorophenyl) methyl carbonate is 1847-96-7.
What is the molecular formula of (3-Chlorophenyl) methyl carbonate?
The molecular formula of (3-Chlorophenyl) methyl carbonate is C8H7ClO3.
What is the molecular weight of (3-Chlorophenyl) methyl carbonate?
The molecular weight of (3-Chlorophenyl) methyl carbonate is 186.01 g/mol.
Where can I buy (3-Chlorophenyl) methyl carbonate?
You can request a quote for (3-Chlorophenyl) methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chlorophenyl) methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for (3-Chlorophenyl) methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.