![(6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate structure](/static/products/680/68090-55-1.png)
(6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
TL;DR: (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 68090-55-1) is a chemical compound with molecular formula C10H12N2O5S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
| Molecular Formula | C10H12N2O5S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | -2.9209 |
| Topological Polar Surface Area | 114.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0467 |
| Heavy Atoms | 18 |
| Complexity | 461.1844 |
Chemical Identifiers
| CAS Number | 68090-55-1 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)[NH3+])SC1)C(=O)[O-] |
Product Overview
(6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS 68090-55-1), with molecular formula C10H12N2O5S and molecular weight 272.05 g/mol. IUPAC: (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.
Chemical Property Profile of (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Property Insights of (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
The XLogP value of -2.9209 indicates that (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate. Following Lipinski's Rule of Five, (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate has 1 hydrogen bond donor(s) and 6 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 (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?
The CAS number of (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is 68090-55-1.
What is the molecular formula of (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?
The molecular formula of (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is C10H12N2O5S.
What is the molecular weight of (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?
The molecular weight of (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is 272.05 g/mol.
Where can I buy (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?
You can request a quote for (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (6R,7S)-3-(acetyloxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.