benzoic acid, 3,5-dinitro-, sodium salt
TL;DR: benzoic acid, 3,5-dinitro-, sodium salt (CAS 6226-55-7) is a chemical compound with molecular formula C18H19ClN2O4S and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-prop-2-enylacetamide
Also Known As: DivK1c_004816, Benzoic acid, 3,5-dinitro-, sodium salt, CDS1_003776, 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-prop-2-enylacetamide, BAS 02116193
| Molecular Formula | C18H19ClN2O4S |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 2.8461 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.0754 |
| Heavy Atoms | 26 |
| Complexity | 885.31903 |
Chemical Identifiers
| CAS Number | 6226-55-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N(CC(=O)NCC=C)S(=O)(=O)C2=CC=CC=C2)Cl |
Product Overview
benzoic acid, 3,5-dinitro-, sodium salt (CAS 6226-55-7), with molecular formula C18H19ClN2O4S and molecular weight 394.08 g/mol. IUPAC: 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-prop-2-enylacetamide.
Chemical Property Profile of benzoic acid, 3,5-dinitro-, sodium salt
Property Insights of benzoic acid, 3,5-dinitro-, sodium salt
The XLogP value of 2.8461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzoic acid, 3,5-dinitro-, sodium salt. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for benzoic acid, 3,5-dinitro-, sodium salt. Following Lipinski's Rule of Five, benzoic acid, 3,5-dinitro-, sodium salt has 1 hydrogen bond donor(s) and 4 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 benzoic acid, 3,5-dinitro-, sodium salt?
The CAS number of benzoic acid, 3,5-dinitro-, sodium salt is 6226-55-7.
What is the molecular formula of benzoic acid, 3,5-dinitro-, sodium salt?
The molecular formula of benzoic acid, 3,5-dinitro-, sodium salt is C18H19ClN2O4S.
What is the molecular weight of benzoic acid, 3,5-dinitro-, sodium salt?
The molecular weight of benzoic acid, 3,5-dinitro-, sodium salt is 394.08 g/mol.
Where can I buy benzoic acid, 3,5-dinitro-, sodium salt?
You can request a quote for benzoic acid, 3,5-dinitro-, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzoic acid, 3,5-dinitro-, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for benzoic acid, 3,5-dinitro-, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.