Cefetecol
TL;DR: Cefetecol (CAS 117211-03-7) is a chemical compound with molecular formula C20H17N5O9S2 and molecular weight 535.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefetecol, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[[(S)-carboxy(3,4-dihydroxyphenyl)methoxy]imino]acetyl]amino]-8-oxo-, (6R,7R)-, 7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-[carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[[(S)-carboxy(3,4- dihydroxyphenyl)methoxy]imino]acetyl]amino]-8-oxo-, (6R,7R)-
| Molecular Formula | C20H17N5O9S2 |
|---|---|
| Molecular Weight | 535.05 g/mol |
| LogP | 0.0515 |
| Topological Polar Surface Area | 224.97 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.04675 |
| Heavy Atoms | 36 |
| Complexity | 1324.3966 |
Chemical Identifiers
| CAS Number | 117211-03-7 |
|---|---|
| SMILES | C1C=C(N2C(S1)C(C2=O)NC(=O)C(=NOC(C3=CC(=C(C=C3)O)O)C(=O)O)C4=CSC(=N4)N)C(=O)O |
Product Overview
Cefetecol (CAS 117211-03-7), with molecular formula C20H17N5O9S2 and molecular weight 535.05 g/mol. IUPAC: 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cefetecol
Property Insights of Cefetecol
The XLogP value of 0.0515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cefetecol. The TPSA of 224.97 Ų indicates high polarity, suggesting Cefetecol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cefetecol has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cefetecol?
The CAS number of Cefetecol is 117211-03-7.
What is the molecular formula of Cefetecol?
The molecular formula of Cefetecol is C20H17N5O9S2.
What is the molecular weight of Cefetecol?
The molecular weight of Cefetecol is 535.05 g/mol.
Where can I buy Cefetecol?
You can request a quote for Cefetecol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cefetecol?
Yes, KEHONG BIO provides custom synthesis services for Cefetecol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.