头孢克肟
TL;DR: 头孢克肟 (CAS 79350-37-1) is a chemical compound with molecular formula C16H15N5O7S2 and molecular weight 453.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢克肟
7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: CEFIXIME, Cefixime trihydrate, Ytterbium(III) ionophore I, 7-epi-Cefixime (Cefixime EP Impurity C), (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C16H15N5O7S2 |
|---|---|
| Molecular Weight | 453.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.0413 |
| Heavy Atoms | 30 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 79350-37-1 |
|---|---|
| SMILES | C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O |
| InChIKey | OKBVVJOGVLARMR-UHFFFAOYSA-N |
Product Overview
头孢克肟 (CAS 79350-37-1), with molecular formula C16H15N5O7S2 and molecular weight 453.04 g/mol. IUPAC: 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢克肟
Property Insights of 头孢克肟
The XLogP value of -0.7 indicates that 头孢克肟 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 238.0 Ų indicates high polarity, suggesting 头孢克肟 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢克肟 has 4 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 头孢克肟?
The CAS number of 头孢克肟 is 79350-37-1.
What is the molecular formula of 头孢克肟?
The molecular formula of 头孢克肟 is C16H15N5O7S2.
What is the molecular weight of 头孢克肟?
The molecular weight of 头孢克肟 is 453.04 g/mol.
Where can I buy 头孢克肟?
You can request a quote for 头孢克肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢克肟?
Yes, KEHONG BIO provides custom synthesis services for 头孢克肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.