O-Formylcefamandole
TL;DR: O-Formylcefamandole (CAS 57268-98-1) is a chemical compound with molecular formula C19H18N6O6S2 and molecular weight 490.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[(2R)-2-formyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: O-Formylcefamandole, cefamandole nafate, Cefamandole formate, Lampomandol, Cemandil
| Molecular Formula | C19H18N6O6S2 |
|---|---|
| Molecular Weight | 490.07 g/mol |
| LogP | -0.0449 |
| Topological Polar Surface Area | 156.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.07294 |
| Heavy Atoms | 33 |
| Complexity | 1122.9862 |
Chemical Identifiers
| CAS Number | 57268-98-1 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)OC=O)SC2)C(=O)O |
Product Overview
O-Formylcefamandole (CAS 57268-98-1), with molecular formula C19H18N6O6S2 and molecular weight 490.07 g/mol. IUPAC: (6R,7R)-7-[[(2R)-2-formyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of O-Formylcefamandole
Property Insights of O-Formylcefamandole
The XLogP value of -0.0449 indicates that O-Formylcefamandole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.61 Ų indicates high polarity, suggesting O-Formylcefamandole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-Formylcefamandole has 2 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 O-Formylcefamandole?
The CAS number of O-Formylcefamandole is 57268-98-1.
What is the molecular formula of O-Formylcefamandole?
The molecular formula of O-Formylcefamandole is C19H18N6O6S2.
What is the molecular weight of O-Formylcefamandole?
The molecular weight of O-Formylcefamandole is 490.07 g/mol.
Where can I buy O-Formylcefamandole?
You can request a quote for O-Formylcefamandole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Formylcefamandole?
Yes, KEHONG BIO provides custom synthesis services for O-Formylcefamandole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.