8-Hydroxypenillic acid
TL;DR: 8-Hydroxypenillic acid (CAS 3053-85-8) is a chemical compound with molecular formula C9H12N2O5S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid
Also Known As: 8-Hydroxypenillic acid, Penicillin Impurity 4, Hexahydro-2,2-dimethyl-5-oxoimidazo[5,1-b]thiazole-3,7-dicarboxylic acid, 2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid, Imidazo(5.1-b)thiazole-3,7-dicarboxylic acid, hexahydro-2,2-dimethyl-5-oxo-
| Molecular Formula | C9H12N2O5S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | -0.2305 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0467 |
| Heavy Atoms | 17 |
| Complexity | 410.1904 |
Chemical Identifiers
| CAS Number | 3053-85-8 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(NC2=O)C(=O)O)C(=O)O)C |
Product Overview
8-Hydroxypenillic acid (CAS 3053-85-8), with molecular formula C9H12N2O5S and molecular weight 260.05 g/mol. IUPAC: 2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid.
Chemical Property Profile of 8-Hydroxypenillic acid
Property Insights of 8-Hydroxypenillic acid
The XLogP value of -0.2305 indicates that 8-Hydroxypenillic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Hydroxypenillic acid. Following Lipinski's Rule of Five, 8-Hydroxypenillic acid has 3 hydrogen bond donor(s) and 4 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 8-Hydroxypenillic acid?
The CAS number of 8-Hydroxypenillic acid is 3053-85-8.
What is the molecular formula of 8-Hydroxypenillic acid?
The molecular formula of 8-Hydroxypenillic acid is C9H12N2O5S.
What is the molecular weight of 8-Hydroxypenillic acid?
The molecular weight of 8-Hydroxypenillic acid is 260.05 g/mol.
Where can I buy 8-Hydroxypenillic acid?
You can request a quote for 8-Hydroxypenillic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Hydroxypenillic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-Hydroxypenillic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.