2H-431S
TL;DR: 2H-431S (CAS 338398-82-6) is a chemical compound with molecular formula C21H17ClFNO3S2 and molecular weight 449.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]-4-methylsulfonylbenzamide
Also Known As: 2H-431S, 2-chloro-N-(4-{[(4-fluorophenyl)sulfanyl]methyl}phenyl)-4-(methylsulfonyl)benzenecarboxamide, 2-chloro-N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]-4-methylsulfonylbenzamide, 2-chloro-N-(4-{[(4-fluorophenyl)sulfanyl]methyl}phenyl)-4-methanesulfonylbenzamide, 2-chloro-N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]-4-methylsulfonyl-benzamide
| Molecular Formula | C21H17ClFNO3S2 |
|---|---|
| Molecular Weight | 449.03 g/mol |
| LogP | 5.4272 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.03223 |
| Heavy Atoms | 29 |
| Complexity | 1131.5928 |
Chemical Identifiers
| CAS Number | 338398-82-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)CSC3=CC=C(C=C3)F)Cl |
Product Overview
2H-431S (CAS 338398-82-6), with molecular formula C21H17ClFNO3S2 and molecular weight 449.03 g/mol. IUPAC: 2-chloro-N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]-4-methylsulfonylbenzamide.
Chemical Property Profile of 2H-431S
Property Insights of 2H-431S
The XLogP value of 5.4272 indicates that 2H-431S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-431S. Following Lipinski's Rule of Five, 2H-431S has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-431S?
The CAS number of 2H-431S is 338398-82-6.
What is the molecular formula of 2H-431S?
The molecular formula of 2H-431S is C21H17ClFNO3S2.
What is the molecular weight of 2H-431S?
The molecular weight of 2H-431S is 449.03 g/mol.
Where can I buy 2H-431S?
You can request a quote for 2H-431S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-431S?
Yes, KEHONG BIO provides custom synthesis services for 2H-431S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.