3,3'-磺酰基双(4-氨基苯甲酸)
TL;DR: 3,3'-磺酰基双(4-氨基苯甲酸) (CAS 502144-10-7) 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(4-氨基苯甲酸)
4-amino-3-(2-amino-5-carboxyphenyl)sulfonylbenzoic acid
Also Known As: 3,3'-Sulfonylbis(4-aminobenzoic acid), 3,3'-Sulfonylbis[4-aminobenzoic acid], Benzoic acid, 3,3'-sulfonylbis[4-amino-, 3,3a(2)-Sulfonylbis[4-aminobenzoic acid], 4-amino-3-(2-amino-5-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 | 502144-10-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)N)N |
| InChIKey | RWIMXESREAVUOA-UHFFFAOYSA-N |
Product Overview
3,3'-磺酰基双(4-氨基苯甲酸) (CAS 502144-10-7), with molecular formula C14H12N2O6S and molecular weight 336.04 g/mol. IUPAC: 4-amino-3-(2-amino-5-carboxyphenyl)sulfonylbenzoic acid.
Chemical Property Profile of 3,3'-磺酰基双(4-氨基苯甲酸)
Property Insights of 3,3'-磺酰基双(4-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(4-氨基苯甲酸). The TPSA of 169.0 Ų indicates high polarity, suggesting 3,3'-磺酰基双(4-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(4-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(4-氨基苯甲酸)?
The CAS number of 3,3'-磺酰基双(4-氨基苯甲酸) is 502144-10-7.
What is the molecular formula of 3,3'-磺酰基双(4-氨基苯甲酸)?
The molecular formula of 3,3'-磺酰基双(4-氨基苯甲酸) is C14H12N2O6S.
What is the molecular weight of 3,3'-磺酰基双(4-氨基苯甲酸)?
The molecular weight of 3,3'-磺酰基双(4-氨基苯甲酸) is 336.04 g/mol.
Where can I buy 3,3'-磺酰基双(4-氨基苯甲酸)?
You can request a quote for 3,3'-磺酰基双(4-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(4-氨基苯甲酸)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-磺酰基双(4-氨基苯甲酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.