Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester
TL;DR: Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester (CAS 313376-39-5) is a chemical compound with molecular formula C22H17NO5 and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate
Also Known As: Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester, ethyl 5-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate, Ethyl 6-methoxybenzothiazole-2-carboxylate, AB00113667-01, ETHYL 5-AMINO-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOATE
| Molecular Formula | C22H17NO5 |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 4.0293 |
| Topological Polar Surface Area | 102.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.1107 |
| Heavy Atoms | 28 |
| Complexity | 1241.5312 |
Chemical Identifiers
| CAS Number | 313376-39-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)N)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O |
Product Overview
Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester (CAS 313376-39-5), with molecular formula C22H17NO5 and molecular weight 375.11 g/mol. IUPAC: ethyl 5-amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate.
Chemical Property Profile of Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester
Property Insights of Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester
The XLogP value of 4.0293 indicates that Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester has 2 hydrogen bond donor(s) and 6 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 Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester?
The CAS number of Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester is 313376-39-5.
What is the molecular formula of Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester?
The molecular formula of Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester is C22H17NO5.
What is the molecular weight of Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester?
The molecular weight of Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester is 375.11 g/mol.
Where can I buy Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester?
You can request a quote for Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.