EINECS 258-967-1
TL;DR: EINECS 258-967-1 (CAS 54083-02-2) is a chemical compound with molecular formula C11H14N2O6S and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(acetyloxymethyl)-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: A-Methoxy-, A-amidocephalosporansaeure, 3-[(acetyloxy)methyl]-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(acetyloxymethyl)-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R-cis)-3-(Acetoxymethyl)-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
| Molecular Formula | C11H14N2O6S |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.05725 |
| Heavy Atoms | 20 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 54083-02-2 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)(N)OC)SC1)C(=O)O |
| InChIKey | RFTYZLNBEGIZRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EINECS 258-967-1 (CAS 54083-02-2), with molecular formula C11H14N2O6S and molecular weight 302.06 g/mol. IUPAC: 3-(acetyloxymethyl)-7-amino-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of EINECS 258-967-1
Property Insights of EINECS 258-967-1
The XLogP value of -3.3 indicates that EINECS 258-967-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting EINECS 258-967-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 258-967-1 has 2 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 258-967-1?
The CAS number of EINECS 258-967-1 is 54083-02-2.
What is the molecular formula of EINECS 258-967-1?
The molecular formula of EINECS 258-967-1 is C11H14N2O6S.
What is the molecular weight of EINECS 258-967-1?
The molecular weight of EINECS 258-967-1 is 302.06 g/mol.
Where can I buy EINECS 258-967-1?
You can request a quote for EINECS 258-967-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 258-967-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 258-967-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.