Deacetylcephaloglycin
TL;DR: Deacetylcephaloglycin (CAS 50462-40-3) is a chemical compound with molecular formula C16H17N3O5S and molecular weight 363.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Deacetylcephaloglycin, KST-1A5123, (6r,7r)-7-{[amino(phenyl)acetyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R-(6alpha,7beta(R*)))-7-((Aminophenylacetyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
| Molecular Formula | C16H17N3O5S |
|---|---|
| Molecular Weight | 363.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.0889 |
| Heavy Atoms | 25 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 50462-40-3 |
|---|---|
| SMILES | C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)CO |
| InChIKey | HUKRJWVLQPKROI-HUFXEGEASA-N |
Product Overview
Deacetylcephaloglycin (CAS 50462-40-3), with molecular formula C16H17N3O5S and molecular weight 363.09 g/mol. IUPAC: (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Deacetylcephaloglycin
Property Insights of Deacetylcephaloglycin
The XLogP value of -0.6 indicates that Deacetylcephaloglycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting Deacetylcephaloglycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deacetylcephaloglycin has 4 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 Deacetylcephaloglycin?
The CAS number of Deacetylcephaloglycin is 50462-40-3.
What is the molecular formula of Deacetylcephaloglycin?
The molecular formula of Deacetylcephaloglycin is C16H17N3O5S.
What is the molecular weight of Deacetylcephaloglycin?
The molecular weight of Deacetylcephaloglycin is 363.09 g/mol.
Where can I buy Deacetylcephaloglycin?
You can request a quote for Deacetylcephaloglycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetylcephaloglycin?
Yes, KEHONG BIO provides custom synthesis services for Deacetylcephaloglycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.