Einecs 248-723-2
TL;DR: Einecs 248-723-2 (CAS 27910-26-5) is a chemical compound with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acetyloxymethyl)-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 3-[(acetyloxy)methyl]-7-{[hydroxy(phenyl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-(acetyloxymethyl)-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-(hydroxyphenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R-(6alpha,7beta))-3-(Acetoxymethyl)-7-(hydroxyphenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(acetyloxymethyl)-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C18H18N2O7S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.08347 |
| Heavy Atoms | 28 |
| Complexity | 717.0 |
Chemical Identifiers
| CAS Number | 27910-26-5 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)O)SC1)C(=O)O |
| InChIKey | CNAGMNMBHMQZPF-UHFFFAOYSA-N |
Product Overview
Einecs 248-723-2 (CAS 27910-26-5), with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol. IUPAC: 3-(acetyloxymethyl)-7-[(2-hydroxy-2-phenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Einecs 248-723-2
Property Insights of Einecs 248-723-2
The XLogP value of -0.4 indicates that Einecs 248-723-2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting Einecs 248-723-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 248-723-2 has 3 hydrogen bond donor(s) and 8 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 Einecs 248-723-2?
The CAS number of Einecs 248-723-2 is 27910-26-5.
What is the molecular formula of Einecs 248-723-2?
The molecular formula of Einecs 248-723-2 is C18H18N2O7S.
What is the molecular weight of Einecs 248-723-2?
The molecular weight of Einecs 248-723-2 is 406.08 g/mol.
Where can I buy Einecs 248-723-2?
You can request a quote for Einecs 248-723-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 248-723-2?
Yes, KEHONG BIO provides custom synthesis services for Einecs 248-723-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.