O-methyl N-(4-fluorobenzoyl)carbamothioate
TL;DR: O-methyl N-(4-fluorobenzoyl)carbamothioate (CAS 6964-38-1) is a chemical compound with molecular formula C9H8FNO2S and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-methyl N-(4-fluorobenzoyl)carbamothioate
Also Known As: NCIOpen2_003066, O-methyl N-(4-fluorobenzoyl)carbamothioate, O-methyl (4-fluorobenzoyl)carbamothioate, RefChem:366486
| Molecular Formula | C9H8FNO2S |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | 1.4868 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.02597 |
| Heavy Atoms | 14 |
| Complexity | 350.3345 |
Chemical Identifiers
| CAS Number | 6964-38-1 |
|---|---|
| SMILES | COC(=S)NC(=O)C1=CC=C(C=C1)F |
Product Overview
O-methyl N-(4-fluorobenzoyl)carbamothioate (CAS 6964-38-1), with molecular formula C9H8FNO2S and molecular weight 213.03 g/mol. IUPAC: O-methyl N-(4-fluorobenzoyl)carbamothioate.
Chemical Property Profile of O-methyl N-(4-fluorobenzoyl)carbamothioate
Property Insights of O-methyl N-(4-fluorobenzoyl)carbamothioate
The XLogP value of 1.4868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-methyl N-(4-fluorobenzoyl)carbamothioate. With a topological polar surface area (TPSA) of 38.33 Ų, O-methyl N-(4-fluorobenzoyl)carbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-methyl N-(4-fluorobenzoyl)carbamothioate has 1 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-methyl N-(4-fluorobenzoyl)carbamothioate?
The CAS number of O-methyl N-(4-fluorobenzoyl)carbamothioate is 6964-38-1.
What is the molecular formula of O-methyl N-(4-fluorobenzoyl)carbamothioate?
The molecular formula of O-methyl N-(4-fluorobenzoyl)carbamothioate is C9H8FNO2S.
What is the molecular weight of O-methyl N-(4-fluorobenzoyl)carbamothioate?
The molecular weight of O-methyl N-(4-fluorobenzoyl)carbamothioate is 213.03 g/mol.
Where can I buy O-methyl N-(4-fluorobenzoyl)carbamothioate?
You can request a quote for O-methyl N-(4-fluorobenzoyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl N-(4-fluorobenzoyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for O-methyl N-(4-fluorobenzoyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.