CA-074 methyl ester
TL;DR: CA-074 methyl ester (CAS 147859-80-1) is a chemical compound with molecular formula C19H31N3O6 and molecular weight 397.22128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[3-methyl-2-[[3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate
Also Known As: CA-074 methyl ester, Cathepsin B Inhibitor IV, CA-074 Me, CA-074Me, L-trans-epoxysuccinyl-Ile-pro-ome propylamide
Technical Specifications
| Molecular Formula | C19H31N3O6 |
| Molecular Weight | 397.22128 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 397.22128 Da |
| Heavy Atoms | 28 |
| Complexity | 610.0 |
| SMILES | CCCNC(=O)C1C(O1)C(=O)NC(C(C)CC)C(=O)N2CCCC2C(=O)OC |
| InChIKey | XGWSRLSPWIEMLQ-UHFFFAOYSA-N |
Chemical Property Profile of CA-074 methyl ester
Property Insights of CA-074 methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CA-074 methyl ester. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CA-074 methyl ester. Following Lipinski's Rule of Five, CA-074 methyl ester 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 CA-074 methyl ester?
The CAS number of CA-074 methyl ester is 147859-80-1.
What is the molecular formula of CA-074 methyl ester?
The molecular formula of CA-074 methyl ester is C19H31N3O6.
What is the molecular weight of CA-074 methyl ester?
The molecular weight of CA-074 methyl ester is 397.22128 g/mol.
Where can I buy CA-074 methyl ester?
You can request a quote for CA-074 methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CA-074 methyl ester?
Yes, CoreyChem provides custom synthesis services for CA-074 methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.