头孢喹肟
TL;DR: 头孢喹肟 (CAS 84957-30-2) is a chemical compound with molecular formula C23H25N6O5S2+ and molecular weight 529.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢喹肟
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefquinome, 1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-5,6,7,8-tetrahydroquinolin-1-ium
| Molecular Formula | C23H25N6O5S2+ |
|---|---|
| Molecular Weight | 529.13 g/mol |
| LogP | 0.6809 |
| Topological Polar Surface Area | 151.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 529.1328 |
| Heavy Atoms | 36 |
| Complexity | 1305.6577 |
Chemical Identifiers
| CAS Number | 84957-30-2 |
|---|---|
| SMILES | CON=C(C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)O |
Product Overview
头孢喹肟 (CAS 84957-30-2), with molecular formula C23H25N6O5S2+ and molecular weight 529.13 g/mol. IUPAC: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢喹肟
Property Insights of 头孢喹肟
The XLogP value of 0.6809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢喹肟. The TPSA of 151.09 Ų indicates high polarity, suggesting 头孢喹肟 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢喹肟 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢喹肟?
The CAS number of 头孢喹肟 is 84957-30-2.
What is the molecular formula of 头孢喹肟?
The molecular formula of 头孢喹肟 is C23H25N6O5S2+.
What is the molecular weight of 头孢喹肟?
The molecular weight of 头孢喹肟 is 529.13 g/mol.
Where can I buy 头孢喹肟?
You can request a quote for 头孢喹肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢喹肟?
Yes, KEHONG BIO provides custom synthesis services for 头孢喹肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.