头孢噻利
TL;DR: 头孢噻利 (CAS 122841-10-5) is a chemical compound with molecular formula C19H22N8O6S2 and molecular weight 522.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢噻利
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefoselis, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-
| Molecular Formula | C19H22N8O6S2 |
|---|---|
| Molecular Weight | 522.11 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 522.11035 |
| Heavy Atoms | 35 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 122841-10-5 |
|---|---|
| SMILES | CON=C(C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN4C=CC(=N)N4CCO)C(=O)O |
| InChIKey | ZINFAXPQMLDEEJ-CXAGYDPISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢噻利 (CAS 122841-10-5), with molecular formula C19H22N8O6S2 and molecular weight 522.11 g/mol. IUPAC: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢噻利
Property Insights of 头孢噻利
The XLogP value of -2.0 indicates that 头孢噻利 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 251.0 Ų indicates high polarity, suggesting 头孢噻利 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢噻利 has 5 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 头孢噻利?
The CAS number of 头孢噻利 is 122841-10-5.
What is the molecular formula of 头孢噻利?
The molecular formula of 头孢噻利 is C19H22N8O6S2.
What is the molecular weight of 头孢噻利?
The molecular weight of 头孢噻利 is 522.11 g/mol.
Where can I buy 头孢噻利?
You can request a quote for 头孢噻利 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢噻利?
Yes, KEHONG BIO provides custom synthesis services for 头孢噻利 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.