Carfimate
TL;DR: Carfimate (CAS 3567-38-2) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylprop-2-ynyl carbamate
Also Known As: Carfimate, Carfimat, Nirvotin, Carfimatum, Carfimato
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 3567-38-2 |
|---|---|
| SMILES | C#CC(C1=CC=CC=C1)OC(=O)N |
| InChIKey | MTTYXGPMZKRTCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carfimate (CAS 3567-38-2), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 1-phenylprop-2-ynyl carbamate.
Chemical Property Profile of Carfimate
Property Insights of Carfimate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carfimate. With a topological polar surface area (TPSA) of 52.3 Ų, Carfimate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carfimate has 1 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 Carfimate?
The CAS number of Carfimate is 3567-38-2.
What is the molecular formula of Carfimate?
The molecular formula of Carfimate is C10H9NO2.
What is the molecular weight of Carfimate?
The molecular weight of Carfimate is 175.06 g/mol.
Where can I buy Carfimate?
You can request a quote for Carfimate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carfimate?
Yes, KEHONG BIO provides custom synthesis services for Carfimate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.