![4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide structure](/static/products/4319/431985-24-9.webp)
4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide
TL;DR: 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide (CAS 431985-24-9) is a chemical compound with molecular formula C21H20N2O4S2 and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide
Also Known As: AH-487/40936209, 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide, 3-nitro-4-methyl-N-{2-methyl-4-[(phenylsulfanyl)methyl]phenyl}benzenesulfonamide
| Molecular Formula | C21H20N2O4S2 |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 5.30474 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.08646 |
| Heavy Atoms | 29 |
| Complexity | 1146.5977 |
Chemical Identifiers
| CAS Number | 431985-24-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)[N+](=O)[O-] |
Product Overview
4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide (CAS 431985-24-9), with molecular formula C21H20N2O4S2 and molecular weight 428.09 g/mol. IUPAC: 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide.
Chemical Property Profile of 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide
Property Insights of 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide
The XLogP value of 5.30474 indicates that 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide?
The CAS number of 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide is 431985-24-9.
What is the molecular formula of 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide?
The molecular formula of 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide is C21H20N2O4S2.
What is the molecular weight of 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide?
The molecular weight of 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide is 428.09 g/mol.
Where can I buy 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide?
You can request a quote for 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.