Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-
TL;DR: Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)- (CAS 103439-95-8) is a chemical compound with molecular formula C14H11NO6S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonylmethyl)-3-nitrobenzoic acid
Also Known As: Benzaldehyde,5-benzyloxy-2-fluoro, 4-((Phenylsulfonyl)methyl)-3-nitrobenzoic acid, Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-, 4-(benzenesulfonylmethyl)-3-nitrobenzoic acid, 3-nitro-4-[(phenylsulfonyl)methyl]benzoic acid
| Molecular Formula | C14H11NO6S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.0307 |
| Heavy Atoms | 22 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 103439-95-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | HRMGRKAHDIORQN-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)- (CAS 103439-95-8), with molecular formula C14H11NO6S and molecular weight 321.03 g/mol. IUPAC: 4-(benzenesulfonylmethyl)-3-nitrobenzoic acid.
Chemical Property Profile of Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-
Property Insights of Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-. Following Lipinski's Rule of Five, Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)- has 1 hydrogen bond donor(s) and 6 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-nitro-4-((phenylsulfonyl)methyl)-?
The CAS number of Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)- is 103439-95-8.
What is the molecular formula of Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-?
The molecular formula of Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)- is C14H11NO6S.
What is the molecular weight of Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-?
The molecular weight of Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)- is 321.03 g/mol.
Where can I buy Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)-?
You can request a quote for Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)- 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-nitro-4-((phenylsulfonyl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-nitro-4-((phenylsulfonyl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.