硫酸头孢噻利
TL;DR: 硫酸头孢噻利 (CAS 122841-12-7) is a chemical compound with molecular formula C19H24N8O10S3 and molecular weight 620.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸头孢噻利
(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;sulfuric acid
Also Known As: Cefoselis sulfate, (6R,7R)-7-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sulfuric acid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-, sulfate (1:1)
| Molecular Formula | C19H24N8O10S3 |
|---|---|
| Molecular Weight | 620.08 g/mol |
| LogP | -2.06343 |
| Topological Polar Surface Area | 334.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 620.07776 |
| Heavy Atoms | 40 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 122841-12-7 |
|---|---|
| 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.OS(=O)(=O)O |
| InChIKey | LZOLCSVRFKCSEM-UFIUYGHPSA-N |
Product Overview
硫酸头孢噻利 (CAS 122841-12-7), with molecular formula C19H24N8O10S3 and molecular weight 620.08 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;sulfuric acid.
Chemical Property Profile of 硫酸头孢噻利
Property Insights of 硫酸头孢噻利
The XLogP value of -2.06343 indicates that 硫酸头孢噻利 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 334.0 Ų indicates high polarity, suggesting 硫酸头孢噻利 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸头孢噻利 has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫酸头孢噻利?
The CAS number of 硫酸头孢噻利 is 122841-12-7.
What is the molecular formula of 硫酸头孢噻利?
The molecular formula of 硫酸头孢噻利 is C19H24N8O10S3.
What is the molecular weight of 硫酸头孢噻利?
The molecular weight of 硫酸头孢噻利 is 620.08 g/mol.
Where can I buy 硫酸头孢噻利?
You can request a quote for 硫酸头孢噻利 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸头孢噻利?
Yes, KEHONG BIO provides custom synthesis services for 硫酸头孢噻利 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.