3,3'-磺酰基双(6-氨基苯甲酸)
TL;DR: 3,3'-磺酰基双(6-氨基苯甲酸) (CAS 71958-80-0) is a chemical compound with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-磺酰基双(6-氨基苯甲酸)
2-amino-5-(4-amino-3-carboxyphenyl)sulfonylbenzoic acid
Also Known As: 3,3'-sulfonylbis(6-aminobenzoic acid), Benzoic acid,3,3'-sulfonylbis[6-amino-, 2-amino-5-(4-amino-3-carboxyphenyl)sulfonylbenzoic acid
| Molecular Formula | C14H12N2O6S |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.0416 |
| Heavy Atoms | 23 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 71958-80-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)N)C(=O)O)C(=O)O)N |
| InChIKey | GSBAMPHXDICKMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-磺酰基双(6-氨基苯甲酸) (CAS 71958-80-0), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: 2-amino-5-(4-amino-3-carboxyphenyl)sulfonylbenzoic acid.
Chemical Property Profile of 3,3'-磺酰基双(6-氨基苯甲酸)
Property Insights of 3,3'-磺酰基双(6-氨基苯甲酸)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-磺酰基双(6-氨基苯甲酸). The TPSA of 169.0 Ų indicates high polarity, suggesting 3,3'-磺酰基双(6-氨基苯甲酸) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-磺酰基双(6-氨基苯甲酸) has 4 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 3,3'-磺酰基双(6-氨基苯甲酸)?
The CAS number of 3,3'-磺酰基双(6-氨基苯甲酸) is 71958-80-0.
What is the molecular formula of 3,3'-磺酰基双(6-氨基苯甲酸)?
The molecular formula of 3,3'-磺酰基双(6-氨基苯甲酸) is C14H12N2O6S.
What is the molecular weight of 3,3'-磺酰基双(6-氨基苯甲酸)?
The molecular weight of 3,3'-磺酰基双(6-氨基苯甲酸) is 336.04 g/mol.
Where can I buy 3,3'-磺酰基双(6-氨基苯甲酸)?
You can request a quote for 3,3'-磺酰基双(6-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 3,3'-磺酰基双(6-氨基苯甲酸)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-磺酰基双(6-氨基苯甲酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.