头孢洛宁
TL;DR: 头孢洛宁 (CAS 5575-21-3) is a chemical compound with molecular formula C20H18N4O5S2 and molecular weight 458.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢洛宁
(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: Cephalonium, Cefalonium hydrate, Cefalonio, Cefalonum, Cefalonium [INN]
| Molecular Formula | C20H18N4O5S2 |
|---|---|
| Molecular Weight | 458.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.07187 |
| Heavy Atoms | 31 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 5575-21-3 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N |
| InChIKey | FMZXNVLFJHCSAF-DNVCBOLYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢洛宁 (CAS 5575-21-3), with molecular formula C20H18N4O5S2 and molecular weight 458.07 g/mol. IUPAC: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of 头孢洛宁
Property Insights of 头孢洛宁
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢洛宁. The TPSA of 190.0 Ų indicates high polarity, suggesting 头孢洛宁 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢洛宁 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢洛宁?
The CAS number of 头孢洛宁 is 5575-21-3.
What is the molecular formula of 头孢洛宁?
The molecular formula of 头孢洛宁 is C20H18N4O5S2.
What is the molecular weight of 头孢洛宁?
The molecular weight of 头孢洛宁 is 458.07 g/mol.
Where can I buy 头孢洛宁?
You can request a quote for 头孢洛宁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢洛宁?
Yes, KEHONG BIO provides custom synthesis services for 头孢洛宁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.