Einecs 251-075-3
TL;DR: Einecs 251-075-3 (CAS 32510-61-5) is a chemical compound with molecular formula C13H14N6O6S and molecular weight 382.06955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(acetyloxymethyl)-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cefazolin Impurity D, (6R-trans)-3-(Acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[(1h-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-(2-(1H-Tetrazol-1-yl)acetamido)-3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-7-(2-(1H-tetrazol-1-yl)acetamido)-3-(acetoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C13H14N6O6S |
| Molecular Weight | 382.06955 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 182.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.06955 Da |
| Heavy Atoms | 26 |
| Complexity | 684.0 |
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CN3C=NN=N3)SC1)C(=O)O |
| InChIKey | PIXMOMPJMIAMLJ-UHFFFAOYSA-N |
Chemical Property Profile of Einecs 251-075-3
Property Insights of Einecs 251-075-3
The XLogP value of -1.8 indicates that Einecs 251-075-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting Einecs 251-075-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 251-075-3 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Einecs 251-075-3?
The CAS number of Einecs 251-075-3 is 32510-61-5.
What is the molecular formula of Einecs 251-075-3?
The molecular formula of Einecs 251-075-3 is C13H14N6O6S.
What is the molecular weight of Einecs 251-075-3?
The molecular weight of Einecs 251-075-3 is 382.06955 g/mol.
Where can I buy Einecs 251-075-3?
You can request a quote for Einecs 251-075-3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Einecs 251-075-3?
Yes, CoreyChem provides custom synthesis services for Einecs 251-075-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.