Anguibactin
TL;DR: Anguibactin (CAS 104245-09-2) is a chemical compound with molecular formula C15H16N4O4S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
Also Known As: Anguibactin, J2.113.322A, (2Z)-N-hydroxy-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[2-(3H-imidazol-4-yl)ethyl]thiazolidine-4-carboxamide, 2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide, N-Hydroxy-N-[2-(4-imidazolyl)ethyl]-2-(2,3-dihydroxyphenyl)-2-thiazoline-4-carboxamide
| Molecular Formula | C15H16N4O4S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.08923 |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 104245-09-2 |
|---|---|
| SMILES | C1C(N=C(S1)C2=C(C(=CC=C2)O)O)C(=O)N(CCC3=CN=CN3)O |
| InChIKey | GBKVAPJMXMGXJK-UHFFFAOYSA-N |
Product Overview
Anguibactin (CAS 104245-09-2), with molecular formula C15H16N4O4S and molecular weight 348.09 g/mol. IUPAC: 2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide.
Chemical Property Profile of Anguibactin
Property Insights of Anguibactin
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anguibactin. The TPSA of 147.0 Ų indicates high polarity, suggesting Anguibactin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anguibactin has 4 hydrogen bond donor(s) and 7 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 Anguibactin?
The CAS number of Anguibactin is 104245-09-2.
What is the molecular formula of Anguibactin?
The molecular formula of Anguibactin is C15H16N4O4S.
What is the molecular weight of Anguibactin?
The molecular weight of Anguibactin is 348.09 g/mol.
Where can I buy Anguibactin?
You can request a quote for Anguibactin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anguibactin?
Yes, KEHONG BIO provides custom synthesis services for Anguibactin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.