头孢布烯
TL;DR: 头孢布烯 (CAS 97519-39-6) is a chemical compound with molecular formula C15H14N4O6S2 and molecular weight 410.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢布烯
7-[[2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: ceftibuten, Ceftibutene, Ceftibuteno, Ceftibutenum, Ceprifran
| Molecular Formula | C15H14N4O6S2 |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.03546 |
| Heavy Atoms | 27 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 97519-39-6 |
|---|---|
| SMILES | C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O |
| InChIKey | UNJFKXSSGBWRBZ-UHFFFAOYSA-N |
Product Overview
头孢布烯 (CAS 97519-39-6), with molecular formula C15H14N4O6S2 and molecular weight 410.04 g/mol. IUPAC: 7-[[2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢布烯
Property Insights of 头孢布烯
The XLogP value of -0.3 indicates that 头孢布烯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.0 Ų indicates high polarity, suggesting 头孢布烯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢布烯 has 4 hydrogen bond donor(s) and 10 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 头孢布烯?
The CAS number of 头孢布烯 is 97519-39-6.
What is the molecular formula of 头孢布烯?
The molecular formula of 头孢布烯 is C15H14N4O6S2.
What is the molecular weight of 头孢布烯?
The molecular weight of 头孢布烯 is 410.04 g/mol.
Where can I buy 头孢布烯?
You can request a quote for 头孢布烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢布烯?
Yes, KEHONG BIO provides custom synthesis services for 头孢布烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.