ceftibuten
TL;DR: ceftibuten (CAS 97519-40-9) 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.
(6R,7R)-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, Seftem, Spectrum2_001684, Spectrum3_001007, Spectrum4_001135
| 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 | 97519-40-9 |
|---|---|
| SMILES | C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O |
| InChIKey | UNJFKXSSGBWRBZ-ZWNOBZJWSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ceftibuten (CAS 97519-40-9), with molecular formula C15H14N4O6S2 and molecular weight 410.04 g/mol. IUPAC: (6R,7R)-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 ceftibuten
Property Insights of ceftibuten
The XLogP value of -0.3 indicates that ceftibuten is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 216.0 Ų indicates high polarity, suggesting ceftibuten may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ceftibuten 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 ceftibuten?
The CAS number of ceftibuten is 97519-40-9.
What is the molecular formula of ceftibuten?
The molecular formula of ceftibuten is C15H14N4O6S2.
What is the molecular weight of ceftibuten?
The molecular weight of ceftibuten is 410.04 g/mol.
Where can I buy ceftibuten?
You can request a quote for ceftibuten directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ceftibuten?
Yes, KEHONG BIO provides custom synthesis services for ceftibuten and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.