Carbonic acid methyl 3-fluorophenyl ester
TL;DR: Carbonic acid methyl 3-fluorophenyl ester (CAS 1847-99-0) is a chemical compound with molecular formula C8H7FO3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluorophenyl) methyl carbonate
Also Known As: 3-Fluorophenyl methyl carbonate, (3-fluorophenyl) methyl carbonate, Carbonic acid methyl 3-fluorophenyl ester, 3-Fluorophenyl methyl carbonate #, Carbonic acid, m-fluorophenyl methyl ester
| Molecular Formula | C8H7FO3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.03792 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 1847-99-0 |
|---|---|
| SMILES | COC(=O)OC1=CC(=CC=C1)F |
| InChIKey | MLNFIBBIDYMOOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid methyl 3-fluorophenyl ester (CAS 1847-99-0), with molecular formula C8H7FO3 and molecular weight 170.04 g/mol. IUPAC: (3-fluorophenyl) methyl carbonate.
Chemical Property Profile of Carbonic acid methyl 3-fluorophenyl ester
Property Insights of Carbonic acid methyl 3-fluorophenyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid methyl 3-fluorophenyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, Carbonic acid methyl 3-fluorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid methyl 3-fluorophenyl ester has 0 hydrogen bond donor(s) and 4 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 Carbonic acid methyl 3-fluorophenyl ester?
The CAS number of Carbonic acid methyl 3-fluorophenyl ester is 1847-99-0.
What is the molecular formula of Carbonic acid methyl 3-fluorophenyl ester?
The molecular formula of Carbonic acid methyl 3-fluorophenyl ester is C8H7FO3.
What is the molecular weight of Carbonic acid methyl 3-fluorophenyl ester?
The molecular weight of Carbonic acid methyl 3-fluorophenyl ester is 170.04 g/mol.
Where can I buy Carbonic acid methyl 3-fluorophenyl ester?
You can request a quote for Carbonic acid methyl 3-fluorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid methyl 3-fluorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid methyl 3-fluorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.