阿拉普利
TL;DR: 阿拉普利 (CAS 74258-86-9) is a chemical compound with molecular formula C20H26N2O5S and molecular weight 406.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿拉普利
2-[[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: alacepril, KST-1B8554, 1-[3-(acetylsulfanyl)-2-methylpropanoyl]prolylphenylalanine, 2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid, 2-({1-[3-(acetylsulfanyl)-2-methylpropanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropanoic acid
| Molecular Formula | C20H26N2O5S |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.15625 |
| Heavy Atoms | 28 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 74258-86-9 |
|---|---|
| SMILES | CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)O |
| InChIKey | FHHHOYXPRDYHEZ-UHFFFAOYSA-N |
Product Overview
阿拉普利 (CAS 74258-86-9), with molecular formula C20H26N2O5S and molecular weight 406.16 g/mol. IUPAC: 2-[[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of 阿拉普利
Property Insights of 阿拉普利
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿拉普利. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿拉普利. Following Lipinski's Rule of Five, 阿拉普利 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
Frequently Asked Questions
What is the CAS number of 阿拉普利?
The CAS number of 阿拉普利 is 74258-86-9.
What is the molecular formula of 阿拉普利?
The molecular formula of 阿拉普利 is C20H26N2O5S.
What is the molecular weight of 阿拉普利?
The molecular weight of 阿拉普利 is 406.16 g/mol.
Where can I buy 阿拉普利?
You can request a quote for 阿拉普利 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿拉普利?
Yes, KEHONG BIO provides custom synthesis services for 阿拉普利 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.