4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸
TL;DR: 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸 (CAS 56311-35-4) is a chemical compound with molecular formula C19H15NO6S2 and molecular weight 417.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸
4-benzoyl-3-sulfamoyl-5-(thiophen-3-ylmethoxy)benzoic acid
Also Known As: BSTBA, 4-benzoyl-5-sulfamoyl-3- benzoicacid, 4-Benzoyl-5-sulfamoyl-3-(3-thenyloxy)benzoic acid, 4-benzoyl-3-sulfamoyl-5-(3-thienylmethoxy)benzoic acid, 3-(Aminosulfonyl)-4-benzoyl-5-(3-thienylmethoxy)benzoic acid
| Molecular Formula | C19H15NO6S2 |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.0341 |
| Heavy Atoms | 28 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 56311-35-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)OCC3=CSC=C3 |
| InChIKey | QYUPPINXPFCSIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸 (CAS 56311-35-4), with molecular formula C19H15NO6S2 and molecular weight 417.03 g/mol. IUPAC: 4-benzoyl-3-sulfamoyl-5-(thiophen-3-ylmethoxy)benzoic acid.
Chemical Property Profile of 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸
Property Insights of 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸. The TPSA of 160.0 Ų indicates high polarity, suggesting 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸 has 2 hydrogen bond donor(s) and 8 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 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸?
The CAS number of 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸 is 56311-35-4.
What is the molecular formula of 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸?
The molecular formula of 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸 is C19H15NO6S2.
What is the molecular weight of 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸?
The molecular weight of 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸 is 417.03 g/mol.
Where can I buy 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸?
You can request a quote for 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)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 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-苯甲酰-5-磺酰氨基-3-(3-噻吩甲氧基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.