头孢噻呋
TL;DR: 头孢噻呋 (CAS 80370-57-6) is a chemical compound with molecular formula C19H17N5O7S3 and molecular weight 523.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢噻呋
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Ceftiofur, U-67279A
| Molecular Formula | C19H17N5O7S3 |
|---|---|
| Molecular Weight | 523.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.029 |
| Heavy Atoms | 34 |
| Complexity | 945.0 |
Chemical Identifiers
| CAS Number | 80370-57-6 |
|---|---|
| SMILES | CON=C(C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O |
| InChIKey | ZBHXIWJRIFEVQY-MLGOLLRUSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢噻呋 (CAS 80370-57-6), with molecular formula C19H17N5O7S3 and molecular weight 523.03 g/mol. IUPAC: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢噻呋
Property Insights of 头孢噻呋
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢噻呋. The TPSA of 256.0 Ų indicates high polarity, suggesting 头孢噻呋 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢噻呋 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢噻呋?
The CAS number of 头孢噻呋 is 80370-57-6.
What is the molecular formula of 头孢噻呋?
The molecular formula of 头孢噻呋 is C19H17N5O7S3.
What is the molecular weight of 头孢噻呋?
The molecular weight of 头孢噻呋 is 523.03 g/mol.
Where can I buy 头孢噻呋?
You can request a quote for 头孢噻呋 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢噻呋?
Yes, KEHONG BIO provides custom synthesis services for 头孢噻呋 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.