头孢氮氟
TL;DR: 头孢氮氟 (CAS 58665-96-6) is a chemical compound with molecular formula C13H13F3N6O4S3 and molecular weight 470.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢氮氟
(6R,7R)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefazaflur, Cefazaflurum, Cefazaflur [INN], (6R,7R)-3-(((1-Methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-7-(2-((trifluormethyl)thio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure, (6R,7R)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C13H13F3N6O4S3 |
|---|---|
| Molecular Weight | 470.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.01126 |
| Heavy Atoms | 29 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 58665-96-6 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CSC(F)(F)F)SC2)C(=O)O |
| InChIKey | HGXLJRWXCXSEJO-GMSGAONNSA-N |
Product Overview
头孢氮氟 (CAS 58665-96-6), with molecular formula C13H13F3N6O4S3 and molecular weight 470.01 g/mol. IUPAC: (6R,7R)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-7-[[2-(trifluoromethylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢氮氟
Property Insights of 头孢氮氟
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢氮氟. The TPSA of 206.0 Ų indicates high polarity, suggesting 头孢氮氟 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢氮氟 has 2 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 头孢氮氟?
The CAS number of 头孢氮氟 is 58665-96-6.
What is the molecular formula of 头孢氮氟?
The molecular formula of 头孢氮氟 is C13H13F3N6O4S3.
What is the molecular weight of 头孢氮氟?
The molecular weight of 头孢氮氟 is 470.01 g/mol.
Where can I buy 头孢氮氟?
You can request a quote for 头孢氮氟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢氮氟?
Yes, KEHONG BIO provides custom synthesis services for 头孢氮氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.