9G-413S
TL;DR: 9G-413S (CAS 339105-60-1) is a chemical compound with molecular formula C20H15Cl2NO3S2 and molecular weight 450.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-(2-chlorophenyl)sulfanylphenyl]-4-methylsulfonylbenzamide
Also Known As: 9G-413S, 2-chloro-N-[4-(2-chlorophenyl)sulfanylphenyl]-4-methylsulfonylbenzamide, 2-chloro-N-{4-[(2-chlorophenyl)sulfanyl]phenyl}-4-(methylsulfonyl)benzenecarboxamide, 2-chloro-N-{4-[(2-chlorophenyl)sulfanyl]phenyl}-4-methanesulfonylbenzamide, 2-chloro-N-[4-(2-chlorophenyl)sulfanylphenyl]-4-methylsulfonyl-benzamide
| Molecular Formula | C20H15Cl2NO3S2 |
|---|---|
| Molecular Weight | 450.99 g/mol |
| LogP | 5.8004 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.98703 |
| Heavy Atoms | 28 |
| Complexity | 1130.4426 |
Chemical Identifiers
| CAS Number | 339105-60-1 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3Cl)Cl |
Product Overview
9G-413S (CAS 339105-60-1), with molecular formula C20H15Cl2NO3S2 and molecular weight 450.99 g/mol. IUPAC: 2-chloro-N-[4-(2-chlorophenyl)sulfanylphenyl]-4-methylsulfonylbenzamide.
Chemical Property Profile of 9G-413S
Property Insights of 9G-413S
The XLogP value of 5.8004 indicates that 9G-413S 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 9G-413S. Following Lipinski's Rule of Five, 9G-413S 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 9G-413S?
The CAS number of 9G-413S is 339105-60-1.
What is the molecular formula of 9G-413S?
The molecular formula of 9G-413S is C20H15Cl2NO3S2.
What is the molecular weight of 9G-413S?
The molecular weight of 9G-413S is 450.99 g/mol.
Where can I buy 9G-413S?
You can request a quote for 9G-413S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9G-413S?
Yes, KEHONG BIO provides custom synthesis services for 9G-413S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.