ChemDiv2_002133
TL;DR: ChemDiv2_002133 (CAS 5802-06-2) is a chemical compound with molecular formula C18H17NO4S and molecular weight 343.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-(4-methylphenyl)-3-methylsulfonyl-1-phenyl-2H-pyrrol-5-one
Also Known As: ChemDiv2_002133, A1897/0079666, 3-Hydroxy-4-(methanesulfonyl)-5-(4-methylphenyl)-1-phenyl-1,5-dihydro-2H-pyrrol-2-one, 4-hydroxy-2-(4-methylphenyl)-3-methylsulfonyl-1-phenyl-2H-pyrrol-5-one, 3-hydroxy-5-(4-methylphenyl)-4-(methylsulfonyl)-1-phenyl-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C18H17NO4S |
|---|---|
| Molecular Weight | 343.09 g/mol |
| LogP | 2.89712 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.08783 |
| Heavy Atoms | 24 |
| Complexity | 915.2509 |
Chemical Identifiers
| CAS Number | 5802-06-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC=C3)O)S(=O)(=O)C |
Product Overview
ChemDiv2_002133 (CAS 5802-06-2), with molecular formula C18H17NO4S and molecular weight 343.09 g/mol. IUPAC: 4-hydroxy-2-(4-methylphenyl)-3-methylsulfonyl-1-phenyl-2H-pyrrol-5-one.
Chemical Property Profile of ChemDiv2_002133
Property Insights of ChemDiv2_002133
The XLogP value of 2.89712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_002133. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002133. Following Lipinski's Rule of Five, ChemDiv2_002133 has 1 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 ChemDiv2_002133?
The CAS number of ChemDiv2_002133 is 5802-06-2.
What is the molecular formula of ChemDiv2_002133?
The molecular formula of ChemDiv2_002133 is C18H17NO4S.
What is the molecular weight of ChemDiv2_002133?
The molecular weight of ChemDiv2_002133 is 343.09 g/mol.
Where can I buy ChemDiv2_002133?
You can request a quote for ChemDiv2_002133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002133?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.