头孢噻林
TL;DR: 头孢噻林 (CAS 77360-52-2) is a chemical compound with molecular formula C20H18N8O8S3 and molecular weight 594.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢噻林
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-[[5,6-dioxo-4-(2-oxoethyl)-1H-1,2,4-triazin-3-yl]sulfanyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Ceftiolene, Cefatiolene, Ceftiolenum, ceftioleno, Cefathiolene
| Molecular Formula | C20H18N8O8S3 |
|---|---|
| Molecular Weight | 594.04 g/mol |
| LogP | -1.4357 |
| Topological Polar Surface Area | 232.03 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 594.04095 |
| Heavy Atoms | 39 |
| Complexity | 1558.1704 |
Chemical Identifiers
| CAS Number | 77360-52-2 |
|---|---|
| SMILES | CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/SC4=NNC(=O)C(=O)N4CC=O)C(=O)O |
Product Overview
头孢噻林 (CAS 77360-52-2), with molecular formula C20H18N8O8S3 and molecular weight 594.04 g/mol. IUPAC: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-[[5,6-dioxo-4-(2-oxoethyl)-1H-1,2,4-triazin-3-yl]sulfanyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢噻林
Property Insights of 头孢噻林
The XLogP value of -1.4357 indicates that 头孢噻林 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.03 Ų indicates high polarity, suggesting 头孢噻林 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢噻林 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢噻林?
The CAS number of 头孢噻林 is 77360-52-2.
What is the molecular formula of 头孢噻林?
The molecular formula of 头孢噻林 is C20H18N8O8S3.
What is the molecular weight of 头孢噻林?
The molecular weight of 头孢噻林 is 594.04 g/mol.
Where can I buy 头孢噻林?
You can request a quote for 头孢噻林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢噻林?
Yes, KEHONG BIO provides custom synthesis services for 头孢噻林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.