头孢瑞南
TL;DR: 头孢瑞南 (CAS 116853-25-9) is a chemical compound with molecular formula C20H25FN8O6S2 and molecular weight 556.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢瑞南
3-[3-[(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Cefluprenam, 2-Propen-1-aminium, N-(2-amino-2-oxoethyl)-3-[(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-ethyl-N-methyl-, inner salt, (2E)-, 3-[3-[(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C20H25FN8O6S2 |
|---|---|
| Molecular Weight | 556.13 g/mol |
| LogP | -2.3201 |
| Topological Polar Surface Area | 206.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 556.13226 |
| Heavy Atoms | 37 |
| Complexity | 1187.3007 |
Chemical Identifiers
| CAS Number | 116853-25-9 |
|---|---|
| SMILES | CC[N+](C)(CC=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCF)C3=NSC(=N3)N)SC1)C(=O)[O-])CC(=O)N |
Product Overview
头孢瑞南 (CAS 116853-25-9), with molecular formula C20H25FN8O6S2 and molecular weight 556.13 g/mol. IUPAC: 3-[3-[(2-amino-2-oxoethyl)-ethyl-methylazaniumyl]prop-1-enyl]-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(fluoromethoxyimino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of 头孢瑞南
Property Insights of 头孢瑞南
The XLogP value of -2.3201 indicates that 头孢瑞南 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.02 Ų indicates high polarity, suggesting 头孢瑞南 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢瑞南 has 3 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 头孢瑞南?
The CAS number of 头孢瑞南 is 116853-25-9.
What is the molecular formula of 头孢瑞南?
The molecular formula of 头孢瑞南 is C20H25FN8O6S2.
What is the molecular weight of 头孢瑞南?
The molecular weight of 头孢瑞南 is 556.13 g/mol.
Where can I buy 头孢瑞南?
You can request a quote for 头孢瑞南 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢瑞南?
Yes, KEHONG BIO provides custom synthesis services for 头孢瑞南 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.