头孢唑啉
TL;DR: 头孢唑啉 (CAS 25953-19-9) is a chemical compound with molecular formula C14H14N8O4S3 and molecular weight 454.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢唑啉
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cefazolin, Cephazolin, Elzogram, Cephamezine;Cephazoline, BAS 00911336
| Molecular Formula | C14H14N8O4S3 |
|---|---|
| Molecular Weight | 454.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.03003 |
| Heavy Atoms | 29 |
| Complexity | 740.0 |
| Solubility | 49.7 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 25953-19-9 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O |
| InChIKey | MLYYVTUWGNIJIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
头孢唑啉 (CAS 25953-19-9), with molecular formula C14H14N8O4S3 and molecular weight 454.03 g/mol. IUPAC: 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢唑啉
Property Insights of 头孢唑啉
The XLogP value of -0.4 indicates that 头孢唑啉 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 235.0 Ų indicates high polarity, suggesting 头孢唑啉 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢唑啉 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢唑啉?
The CAS number of 头孢唑啉 is 25953-19-9.
What is the molecular formula of 头孢唑啉?
The molecular formula of 头孢唑啉 is C14H14N8O4S3.
What is the molecular weight of 头孢唑啉?
The molecular weight of 头孢唑啉 is 454.03 g/mol.
Where can I buy 头孢唑啉?
You can request a quote for 头孢唑啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢唑啉?
Yes, KEHONG BIO provides custom synthesis services for 头孢唑啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.