![3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸 structure](/static/products/3727/3727-17-1.webp)
3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸
TL;DR: 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸 (CAS 3727-17-1) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸
3-[(4-methylphenyl)sulfonylamino]benzoic acid
Also Known As: 3-(4-methylbenzenesulfonamido)benzoic acid, 3-(Toluene-4-sulfonylamino)-benzoic acid, 3-((4-methylphenyl)sulfonamido)benzoic acid, 3-{[(4-methylphenyl)sulfonyl]amino}benzoic acid, 3-[(4-methylphenyl)sulfonylamino]benzoic acid
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 3727-17-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O |
| InChIKey | FEPILVGKCQHGLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸 (CAS 3727-17-1), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: 3-[(4-methylphenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸
Property Insights of 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸. Following Lipinski's Rule of Five, 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸 has 2 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 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸?
The CAS number of 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸 is 3727-17-1.
What is the molecular formula of 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸?
The molecular formula of 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸 is C14H13NO4S.
What is the molecular weight of 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸?
The molecular weight of 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸 is 291.06 g/mol.
Where can I buy 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸?
You can request a quote for 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-甲基苯基)磺酰基]氨基}苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.