ChemDiv3_009461
TL;DR: ChemDiv3_009461 (CAS 851781-07-2) is a chemical compound with molecular formula C17H18FN3O4S2 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[3-(2-fluorophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
Also Known As: ChemDiv3_009461, IDI1_027371, BRD-A96990427-001-01-7, F0622-0043, N-(4-(5-(2-fluorophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
| Molecular Formula | C17H18FN3O4S2 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 2.3079 |
| Topological Polar Surface Area | 95.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.07227 |
| Heavy Atoms | 27 |
| Complexity | 1097.2534 |
Chemical Identifiers
| CAS Number | 851781-07-2 |
|---|---|
| SMILES | CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3F)S(=O)(=O)C |
Product Overview
ChemDiv3_009461 (CAS 851781-07-2), with molecular formula C17H18FN3O4S2 and molecular weight 411.07 g/mol. IUPAC: N-[4-[3-(2-fluorophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
Chemical Property Profile of ChemDiv3_009461
Property Insights of ChemDiv3_009461
The XLogP value of 2.3079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_009461. The TPSA of 95.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009461. Following Lipinski's Rule of Five, ChemDiv3_009461 has 1 hydrogen bond donor(s) and 5 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_009461?
The CAS number of ChemDiv3_009461 is 851781-07-2.
What is the molecular formula of ChemDiv3_009461?
The molecular formula of ChemDiv3_009461 is C17H18FN3O4S2.
What is the molecular weight of ChemDiv3_009461?
The molecular weight of ChemDiv3_009461 is 411.07 g/mol.
Where can I buy ChemDiv3_009461?
You can request a quote for ChemDiv3_009461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009461?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.