Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)
TL;DR: Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1) (CAS 63549-46-2) is a chemical compound with molecular formula C20H16N2O7S and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-amino-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium;hydrogen sulfate
Also Known As: Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1), Benzoic acid, 2-(6-amino-3-imino-3H-xanthen-9-yl)-, sulfate (1:1), 3,6-Diamino-9-(2-carboxyphenyl)xanthen-10-ium hydrogen sulfate, 3,6-DIAMINO-9-(2-CARBOXYPHENYL)XANTHYLIUM SULFATE (1:1), [6-amino-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium; hydrogen sulfate
| Molecular Formula | C20H16N2O7S |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 1.15 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.0678 |
| Heavy Atoms | 30 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 63549-46-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N)C(=O)O.OS(=O)(=O)[O-] |
| InChIKey | SFISRNPASMXQOX-UHFFFAOYSA-N |
Product Overview
Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1) (CAS 63549-46-2), with molecular formula C20H16N2O7S and molecular weight 428.07 g/mol. IUPAC: [6-amino-9-(2-carboxyphenyl)xanthen-3-ylidene]azanium;hydrogen sulfate.
Chemical Property Profile of Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)
Property Insights of Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)
The XLogP value of 1.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1). The TPSA of 184.0 Ų indicates high polarity, suggesting Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1) 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 Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)?
The CAS number of Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1) is 63549-46-2.
What is the molecular formula of Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)?
The molecular formula of Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1) is C20H16N2O7S.
What is the molecular weight of Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)?
The molecular weight of Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1) is 428.07 g/mol.
Where can I buy Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)?
You can request a quote for Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.