Decarbamylcefoxitin
TL;DR: Decarbamylcefoxitin (CAS 54333-94-7) is a chemical compound with molecular formula C15H16N2O6S2 and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Decarbamylcefoxitin, EINECS 259-108-3, (6R,7R)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-(HYDROXYMETHYL)-7-METHOXY-8-OXO-7-[2-(THIOPHEN-2-YL)ACETAMIDO]-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C15H16N2O6S2 |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | -0.0044 |
| Topological Polar Surface Area | 116.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.04498 |
| Heavy Atoms | 25 |
| Complexity | 747.2125 |
Chemical Identifiers
| CAS Number | 54333-94-7 |
|---|---|
| SMILES | CO[C@]1([C@@H]2N(C1=O)C(=C(CS2)CO)C(=O)O)NC(=O)CC3=CC=CS3 |
Product Overview
Decarbamylcefoxitin (CAS 54333-94-7), with molecular formula C15H16N2O6S2 and molecular weight 384.04 g/mol. IUPAC: (6R,7R)-3-(hydroxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Decarbamylcefoxitin
Property Insights of Decarbamylcefoxitin
The XLogP value of -0.0044 indicates that Decarbamylcefoxitin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Decarbamylcefoxitin. Following Lipinski's Rule of Five, Decarbamylcefoxitin has 3 hydrogen bond donor(s) and 7 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 Decarbamylcefoxitin?
The CAS number of Decarbamylcefoxitin is 54333-94-7.
What is the molecular formula of Decarbamylcefoxitin?
The molecular formula of Decarbamylcefoxitin is C15H16N2O6S2.
What is the molecular weight of Decarbamylcefoxitin?
The molecular weight of Decarbamylcefoxitin is 384.04 g/mol.
Where can I buy Decarbamylcefoxitin?
You can request a quote for Decarbamylcefoxitin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decarbamylcefoxitin?
Yes, KEHONG BIO provides custom synthesis services for Decarbamylcefoxitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.