Ceftibuten hydrate
TL;DR: Ceftibuten hydrate (CAS 118081-34-8) is a chemical compound with molecular formula C15H18N4O8S2 and molecular weight 446.06 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;dihydrate
Also Known As: Ceftibuten hydrate, Ceftibuten (dihydrate), CEFTIBUTEN DIHYDRATE, (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-5-hydroxy-5-oxopent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate, [6R-[6alpha,7beta(Z)]]-7-[[2-(2-Amino-4-thiazolyl)-4-carboxy-1-oxo-2-butenyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Hydrate
| Molecular Formula | C15H18N4O8S2 |
|---|---|
| Molecular Weight | 446.06 g/mol |
| LogP | -1.6976 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.0566 |
| Heavy Atoms | 29 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 118081-34-8 |
|---|---|
| SMILES | C1C=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O.O.O |
| InChIKey | SSWTVBYDDFPFAF-OWVUFADGSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ceftibuten hydrate (CAS 118081-34-8), with molecular formula C15H18N4O8S2 and molecular weight 446.06 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;dihydrate.
Chemical Property Profile of Ceftibuten hydrate
Property Insights of Ceftibuten hydrate
The XLogP value of -1.6976 indicates that Ceftibuten hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting Ceftibuten hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ceftibuten hydrate has 6 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 Ceftibuten hydrate?
The CAS number of Ceftibuten hydrate is 118081-34-8.
What is the molecular formula of Ceftibuten hydrate?
The molecular formula of Ceftibuten hydrate is C15H18N4O8S2.
What is the molecular weight of Ceftibuten hydrate?
The molecular weight of Ceftibuten hydrate is 446.06 g/mol.
Where can I buy Ceftibuten hydrate?
You can request a quote for Ceftibuten hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ceftibuten hydrate?
Yes, KEHONG BIO provides custom synthesis services for Ceftibuten hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.