Ceftiofur Impurity 8
TL;DR: Ceftiofur Impurity 8 (CAS 120905-00-2) is a chemical compound with molecular formula C28H28N10O10S6 and molecular weight 856.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[[(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyldisulfanyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Ceftiofur Impurity 8, Desfuroylceftiofur disulfide, 3,3-Desfuroylceftiofur disulfide, Desfuroyl Ceftiofur Dimer (>90%), (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[({[(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}disulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C28H28N10O10S6 |
|---|---|
| Molecular Weight | 856.03 g/mol |
| LogP | 0.0238 |
| Topological Polar Surface Area | 294.42 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Exact Mass | 856.03143 |
| Heavy Atoms | 54 |
| Complexity | 1906.7482 |
Chemical Identifiers
| CAS Number | 120905-00-2 |
|---|---|
| SMILES | CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSSCC3=C(N4C(=O)[C@H]([C@H]4SC3)NC(=O)/C(=N\OC)/C5=CSC(=N5)N)C(=O)O)/C6=CSC(=N6)N |
Product Overview
Ceftiofur Impurity 8 (CAS 120905-00-2), with molecular formula C28H28N10O10S6 and molecular weight 856.03 g/mol. IUPAC: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[[(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyldisulfanyl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Ceftiofur Impurity 8
Property Insights of Ceftiofur Impurity 8
The XLogP value of 0.0238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ceftiofur Impurity 8. The TPSA of 294.42 Ų indicates high polarity, suggesting Ceftiofur Impurity 8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ceftiofur Impurity 8 has 6 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ceftiofur Impurity 8?
The CAS number of Ceftiofur Impurity 8 is 120905-00-2.
What is the molecular formula of Ceftiofur Impurity 8?
The molecular formula of Ceftiofur Impurity 8 is C28H28N10O10S6.
What is the molecular weight of Ceftiofur Impurity 8?
The molecular weight of Ceftiofur Impurity 8 is 856.03 g/mol.
Where can I buy Ceftiofur Impurity 8?
You can request a quote for Ceftiofur Impurity 8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ceftiofur Impurity 8?
Yes, KEHONG BIO provides custom synthesis services for Ceftiofur Impurity 8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.