![3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid structure](/static/products/3132/313259-86-8.webp)
3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid
TL;DR: 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid (CAS 313259-86-8) is a chemical compound with molecular formula C21H17N3O7S and molecular weight 455.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid
Also Known As: 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid, 3-[2-Methyl-5-[(4-nitrophenyl)carbamoyl]phenylsulfonamido]benzoic Acid, 3-{[(2-methyl-5-{[(4-nitrophenyl)amino]carbonyl}phenyl)sulfonyl]amino}benzoic acid, 3-{2-METHYL-5-[(4-NITROPHENYL)CARBAMOYL]BENZENESULFONAMIDO}BENZOIC ACID, 3-({[5-({4-nitroanilino}carbonyl)-2-methylphenyl]sulfonyl}amino)benzoic acid
| Molecular Formula | C21H17N3O7S |
|---|---|
| Molecular Weight | 455.08 g/mol |
| LogP | 3.65452 |
| Topological Polar Surface Area | 155.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.07874 |
| Heavy Atoms | 32 |
| Complexity | 1319.4749 |
Chemical Identifiers
| CAS Number | 313259-86-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid (CAS 313259-86-8), with molecular formula C21H17N3O7S and molecular weight 455.08 g/mol. IUPAC: 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic acid.
Chemical Property Profile of 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid
Property Insights of 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid
The XLogP value of 3.65452 indicates that 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.71 Ų indicates high polarity, suggesting 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid has 3 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 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid?
The CAS number of 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid is 313259-86-8.
What is the molecular formula of 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid?
The molecular formula of 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid is C21H17N3O7S.
What is the molecular weight of 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid?
The molecular weight of 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid is 455.08 g/mol.
Where can I buy 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid?
You can request a quote for 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-methyl-5-[(4-nitrophenyl)carbamoyl]phenyl]sulfonylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.