Carboxin
TL;DR: Carboxin (CAS 5234-68-4) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Also Known As: CARBOXIN, Carboxine, Carbathiin, Vitavax, Oxatin
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
| Melting Point | 91.5 |
| Density | 1.7 g/mL |
| Solubility | 147 |
| Flash Point | 203 °C |
| Vapor Pressure | 0.00000018 [mmHg] |
Chemical Identifiers
| CAS Number | 5234-68-4 |
|---|---|
| SMILES | CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 |
| InChIKey | GYSSRZJIHXQEHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carboxin (CAS 5234-68-4), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
Chemical Property Profile of Carboxin
Property Insights of Carboxin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carboxin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carboxin. Following Lipinski's Rule of Five, Carboxin 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 Carboxin?
The CAS number of Carboxin is 5234-68-4.
What is the molecular formula of Carboxin?
The molecular formula of Carboxin is C12H13NO2S.
What is the molecular weight of Carboxin?
The molecular weight of Carboxin is 235.07 g/mol.
Where can I buy Carboxin?
You can request a quote for Carboxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carboxin?
Yes, KEHONG BIO provides custom synthesis services for Carboxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.