RefChem:304978
TL;DR: RefChem:304978 (CAS 108098-27-7) is a chemical compound with molecular formula C22H26N2O5S and molecular weight 430.15625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-7-[[1-(4-ethoxyphenyl)cyclopentanecarbonyl]amino]-3-methyl-8-oxo-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, 7-(((1-(4-ethoxyphenyl)cyclopentyl)carbonyl)amino)-3-methyl-8-oxo-, (6R-trans)-, (6R,7R)-7-({[1-(4-Ethoxyphenyl)cyclopentyl](hydroxy)methylidene}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[1-(4-ethoxyphenyl)cyclopentanecarbonyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-({[1-(4-Ethoxyphenyl)cyclopentyl](hydroxy)methylidene}amino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, BRN 5668266
Technical Specifications
| Molecular Formula | C22H26N2O5S |
| Molecular Weight | 430.15625 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.15625 Da |
| Heavy Atoms | 30 |
| Complexity | 753.0 |
| SMILES | CCOC1=CC=C(C=C1)C2(CCCC2)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O |
| InChIKey | QIHYYQLUMHDLTE-VQIMIIECSA-N |
Chemical Property Profile of RefChem:304978
Property Insights of RefChem:304978
The XLogP value of 3.2 indicates that RefChem:304978 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:304978. Following Lipinski's Rule of Five, RefChem:304978 has 2 hydrogen bond donor(s) and 6 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:304978?
The CAS number of RefChem:304978 is 108098-27-7.
What is the molecular formula of RefChem:304978?
The molecular formula of RefChem:304978 is C22H26N2O5S.
What is the molecular weight of RefChem:304978?
The molecular weight of RefChem:304978 is 430.15625 g/mol.
Where can I buy RefChem:304978?
You can request a quote for RefChem:304978 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:304978?
Yes, CoreyChem provides custom synthesis services for RefChem:304978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.