ChemDiv3_006775
TL;DR: ChemDiv3_006775 (CAS 56799-46-3) is a chemical compound with molecular formula C11H15NO3S and molecular weight 241.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylanilino)-1,1-dioxothiolan-3-ol
Also Known As: ChemDiv3_006775, 4-(3-methylanilino)-1,1-dioxothiolan-3-ol, IDI1_024685, 3-hydroxy-4-[(3-methylphenyl)amino]-1, BAS 00821498
| Molecular Formula | C11H15NO3S |
|---|---|
| Molecular Weight | 241.08 g/mol |
| LogP | 0.56482 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.07727 |
| Heavy Atoms | 16 |
| Complexity | 483.75797 |
Chemical Identifiers
| CAS Number | 56799-46-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2CS(=O)(=O)CC2O |
Product Overview
ChemDiv3_006775 (CAS 56799-46-3), with molecular formula C11H15NO3S and molecular weight 241.08 g/mol. IUPAC: 4-(3-methylanilino)-1,1-dioxothiolan-3-ol.
Chemical Property Profile of ChemDiv3_006775
Property Insights of ChemDiv3_006775
The XLogP value of 0.56482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_006775. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_006775. Following Lipinski's Rule of Five, ChemDiv3_006775 has 2 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 ChemDiv3_006775?
The CAS number of ChemDiv3_006775 is 56799-46-3.
What is the molecular formula of ChemDiv3_006775?
The molecular formula of ChemDiv3_006775 is C11H15NO3S.
What is the molecular weight of ChemDiv3_006775?
The molecular weight of ChemDiv3_006775 is 241.08 g/mol.
Where can I buy ChemDiv3_006775?
You can request a quote for ChemDiv3_006775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006775?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.