头孢尼西
TL;DR: 头孢尼西 (CAS 61270-58-4) is a chemical compound with molecular formula C18H18N6O8S3 and molecular weight 542.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢尼西
(6R,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: CEFONICID, Praticef, Monocef, Monocid, Sodium Cefonicid
| Molecular Formula | C18H18N6O8S3 |
|---|---|
| Molecular Weight | 542.03 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.03485 |
| Heavy Atoms | 35 |
| Complexity | 999.0 |
Chemical Identifiers
| CAS Number | 61270-58-4 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)O)C(=O)O)CSC4=NN=NN4CS(=O)(=O)O |
| InChIKey | DYAIAHUQIPBDIP-UJBKNGIVSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢尼西 (CAS 61270-58-4), with molecular formula C18H18N6O8S3 and molecular weight 542.03 g/mol. IUPAC: (6R,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢尼西
Property Insights of 头孢尼西
The XLogP value of -1.9 indicates that 头孢尼西 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 264.0 Ų indicates high polarity, suggesting 头孢尼西 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢尼西 has 4 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 头孢尼西?
The CAS number of 头孢尼西 is 61270-58-4.
What is the molecular formula of 头孢尼西?
The molecular formula of 头孢尼西 is C18H18N6O8S3.
What is the molecular weight of 头孢尼西?
The molecular weight of 头孢尼西 is 542.03 g/mol.
Where can I buy 头孢尼西?
You can request a quote for 头孢尼西 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢尼西?
Yes, KEHONG BIO provides custom synthesis services for 头孢尼西 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.