![Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]- structure](/static/products/893/89303-23-1.png)
Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-
TL;DR: Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]- (CAS 89303-23-1) 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.
3-(benzenesulfonylmethyl)-4-nitrobenzoic acid
Also Known As: Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-, 3-(benzenesulfonylmethyl)-4-nitrobenzoic acid, 3-(benzenesulfonylmethyl)-4-nitro-benzoic Acid, 3-[(BENZENESULFONYL)METHYL]-4-NITROBENZOIC ACID
| Molecular Formula | C14H11NO6S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 2.2669 |
| Topological Polar Surface Area | 114.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.0307 |
| Heavy Atoms | 22 |
| Complexity | 829.6665 |
Chemical Identifiers
| CAS Number | 89303-23-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]- (CAS 89303-23-1), with molecular formula C14H11NO6S and molecular weight 321.03 g/mol. IUPAC: 3-(benzenesulfonylmethyl)-4-nitrobenzoic acid.
Chemical Property Profile of Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-
Property Insights of Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-
The XLogP value of 2.2669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-. The TPSA of 114.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-. Following Lipinski's Rule of Five, Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]- has 1 hydrogen bond donor(s) and 5 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, 4-nitro-3-[(phenylsulfonyl)methyl]-?
The CAS number of Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]- is 89303-23-1.
What is the molecular formula of Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-?
The molecular formula of Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]- is C14H11NO6S.
What is the molecular weight of Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-?
The molecular weight of Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]- is 321.03 g/mol.
Where can I buy Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]-?
You can request a quote for Benzoic acid, 4-nitro-3-[(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, 4-nitro-3-[(phenylsulfonyl)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-nitro-3-[(phenylsulfonyl)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.