xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt
TL;DR: xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt (CAS 30378-58-6) is a chemical compound with molecular formula C20H14N2O3 and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-amino-6-iminoxanthen-9-yl)benzoic acid
Also Known As: Rhodamine 110, Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt, 2-(3,6-Diaminoxanthylium-9-yl)benzoate, 2-(3-amino-6-iminoxanthen-9-yl)benzoic acid, Benzoic acid, 2-(6-amino-3-imino-3H-xanthen-9-yl)-
| Molecular Formula | C20H14N2O3 |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.10043 |
| Heavy Atoms | 25 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 30378-58-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N)C(=O)O |
| InChIKey | UPZKDDJKJWYWHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt (CAS 30378-58-6), with molecular formula C20H14N2O3 and molecular weight 330.10 g/mol. IUPAC: 2-(3-amino-6-iminoxanthen-9-yl)benzoic acid.
Chemical Property Profile of xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt
Property Insights of xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt. Following Lipinski's Rule of Five, xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt has 3 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 xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt?
The CAS number of xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt is 30378-58-6.
What is the molecular formula of xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt?
The molecular formula of xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt is C20H14N2O3.
What is the molecular weight of xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt?
The molecular weight of xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt is 330.10 g/mol.
Where can I buy xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt?
You can request a quote for xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt 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)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.