头孢西酮
TL;DR: 头孢西酮 (CAS 56187-47-4) is a chemical compound with molecular formula C18H15Cl2N5O5S3 and molecular weight 546.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢西酮
(6R,7R)-7-[[2-(3,5-dichloro-4-oxo-1-pyridinyl)acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefazedone, Refosporen, Refosporene, Cefazedona, Cefazedonum
| Molecular Formula | C18H15Cl2N5O5S3 |
|---|---|
| Molecular Weight | 546.96 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.96124 |
| Heavy Atoms | 33 |
| Complexity | 984.0 |
Chemical Identifiers
| CAS Number | 56187-47-4 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=C(C(=O)C(=C4)Cl)Cl)SC2)C(=O)O |
| InChIKey | VTLCNEGVSVJLDN-MLGOLLRUSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢西酮 (CAS 56187-47-4), with molecular formula C18H15Cl2N5O5S3 and molecular weight 546.96 g/mol. IUPAC: (6R,7R)-7-[[2-(3,5-dichloro-4-oxo-1-pyridinyl)acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢西酮
Property Insights of 头孢西酮
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 头孢西酮. The TPSA of 212.0 Ų indicates high polarity, suggesting 头孢西酮 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢西酮 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢西酮?
The CAS number of 头孢西酮 is 56187-47-4.
What is the molecular formula of 头孢西酮?
The molecular formula of 头孢西酮 is C18H15Cl2N5O5S3.
What is the molecular weight of 头孢西酮?
The molecular weight of 头孢西酮 is 546.96 g/mol.
Where can I buy 头孢西酮?
You can request a quote for 头孢西酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢西酮?
Yes, KEHONG BIO provides custom synthesis services for 头孢西酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.