RefChem:322858
TL;DR: RefChem:322858 (CAS 56947-96-7) is a chemical compound with molecular formula C19H14ClN3O6S2 and molecular weight 479.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethylsulfonyl)-2-nitro-N-[4-(4-nitrophenyl)sulfanylphenyl]aniline
Also Known As: Benzenamine, 4-((chloromethyl)sulfonyl)-2-nitro-N-(4-((4-nitrophenyl)thio)phenyl)-, 4-((Chloromethyl)sulfonyl)-2-nitro-N-(4-((4-nitrophenyl)thio)phenyl)benzenamine, 4-(chloromethylsulfonyl)-2-nitro-N-[4-(4-nitrophenyl)sulfanylphenyl]aniline, 4-(Chloromethanesulfonyl)-2-nitro-N-{4-[(4-nitrophenyl)sulfanyl]phenyl}aniline, BRN 3077353
| Molecular Formula | C19H14ClN3O6S2 |
|---|---|
| Molecular Weight | 479.00 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.00125 |
| Heavy Atoms | 31 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 56947-96-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])SC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | QUQUZQKPEDHIRY-UHFFFAOYSA-N |
Product Overview
RefChem:322858 (CAS 56947-96-7), with molecular formula C19H14ClN3O6S2 and molecular weight 479.00 g/mol. IUPAC: 4-(chloromethylsulfonyl)-2-nitro-N-[4-(4-nitrophenyl)sulfanylphenyl]aniline.
Chemical Property Profile of RefChem:322858
Property Insights of RefChem:322858
The XLogP value of 5.7 indicates that RefChem:322858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting RefChem:322858 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:322858 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:322858?
The CAS number of RefChem:322858 is 56947-96-7.
What is the molecular formula of RefChem:322858?
The molecular formula of RefChem:322858 is C19H14ClN3O6S2.
What is the molecular weight of RefChem:322858?
The molecular weight of RefChem:322858 is 479.00 g/mol.
Where can I buy RefChem:322858?
You can request a quote for RefChem:322858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322858?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.