RefChem:304958
TL;DR: RefChem:304958 (CAS 108098-16-4) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-3-methyl-8-oxo-7-[(1-phenylcyclopropanecarbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo- 7-(((1-phenylcyclopropyl)carbonyl)amino)-, (6R-trans)-, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-methyl-8-oxo-7-(((1-phenylcyclopropyl)carbonyl)amino)-, (6R-trans)-, (6R,7R)-3-Methyl-8-oxo-7-(1-phenylcyclopropane-1-carboxamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-methyl-8-oxo-7-[(1-phenylcyclopropanecarbonyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, BRN 5645070
Technical Specifications
| Molecular Formula | C18H18N2O4S |
| Molecular Weight | 358.09872 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.09872 Da |
| Heavy Atoms | 25 |
| Complexity | 664.0 |
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C3(CC3)C4=CC=CC=C4)SC1)C(=O)O |
| InChIKey | VQGJBDWJEGGATG-IUODEOHRSA-N |
Chemical Property Profile of RefChem:304958
Property Insights of RefChem:304958
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:304958. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:304958. Following Lipinski's Rule of Five, RefChem:304958 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:304958?
The CAS number of RefChem:304958 is 108098-16-4.
What is the molecular formula of RefChem:304958?
The molecular formula of RefChem:304958 is C18H18N2O4S.
What is the molecular weight of RefChem:304958?
The molecular weight of RefChem:304958 is 358.09872 g/mol.
Where can I buy RefChem:304958?
You can request a quote for RefChem:304958 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:304958?
Yes, CoreyChem provides custom synthesis services for RefChem:304958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.