RefChem:322857
TL;DR: RefChem:322857 (CAS 56947-97-8) is a chemical compound with molecular formula C19H14ClN3O7S2 and molecular weight 495.00 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)sulfinylphenyl]aniline
Also Known As: 4-((Chloromethyl)sulfonyl)-2-nitro-N-(4-((4-nitrophenyl)sulfinyl)phenyl)benzenamine, Benzenamine, 4-((chloromethyl)sulfonyl)-2-nitro-N-(4-((4-nitrophenyl)sulfinyl)phenyl)-, 4-(chloromethylsulfonyl)-2-nitro-N-[4-(4-nitrophenyl)sulfiny, 4-(chloromethylsulfonyl)-2-nitro-N-[4-(4-nitrophenyl)sulfinylphenyl]aniline, 4-((CHLOROMETHYL)SULFONYL)-2-NITRO-N-(4-((4-NITROPHENYL)SULFINYL)PHENYL)ANILINE
| Molecular Formula | C19H14ClN3O7S2 |
|---|---|
| Molecular Weight | 495.00 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.99615 |
| Heavy Atoms | 32 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 56947-97-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)CCl)[N+](=O)[O-])S(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | VRHCECFQINDBLE-UHFFFAOYSA-N |
Product Overview
RefChem:322857 (CAS 56947-97-8), with molecular formula C19H14ClN3O7S2 and molecular weight 495.00 g/mol. IUPAC: 4-(chloromethylsulfonyl)-2-nitro-N-[4-(4-nitrophenyl)sulfinylphenyl]aniline.
Chemical Property Profile of RefChem:322857
Property Insights of RefChem:322857
The XLogP value of 4.4 indicates that RefChem:322857 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.0 Ų indicates high polarity, suggesting RefChem:322857 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:322857 has 1 hydrogen bond donor(s) and 9 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 RefChem:322857?
The CAS number of RefChem:322857 is 56947-97-8.
What is the molecular formula of RefChem:322857?
The molecular formula of RefChem:322857 is C19H14ClN3O7S2.
What is the molecular weight of RefChem:322857?
The molecular weight of RefChem:322857 is 495.00 g/mol.
Where can I buy RefChem:322857?
You can request a quote for RefChem:322857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322857?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.