Desacetyl-alacepril
TL;DR: Desacetyl-alacepril (CAS 74259-08-8) is a chemical compound with molecular formula C18H24N2O4S and molecular weight 364.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: Desacetyl-alacepril, Deacetylalacepril, DESACETYLALACEPRIL, (S)-2-[(S)-1-((S)-3-Mercapto-2-methylpropanoyl)pyrrolidine-2-carboxamido]-3-phenylpropanoic Acid, ((S)-3-Mercapto-2-methylpropanoyl)-L-prolyl-L-phenylalanine
| Molecular Formula | C18H24N2O4S |
|---|---|
| Molecular Weight | 364.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.1457 |
| Heavy Atoms | 25 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 74259-08-8 |
|---|---|
| SMILES | C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O |
| InChIKey | GICPPYOSOHKZPY-SNPRPXQTSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desacetyl-alacepril (CAS 74259-08-8), with molecular formula C18H24N2O4S and molecular weight 364.15 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of Desacetyl-alacepril
Property Insights of Desacetyl-alacepril
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desacetyl-alacepril. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Desacetyl-alacepril. Following Lipinski's Rule of Five, Desacetyl-alacepril has 3 hydrogen bond donor(s) and 5 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 Desacetyl-alacepril?
The CAS number of Desacetyl-alacepril is 74259-08-8.
What is the molecular formula of Desacetyl-alacepril?
The molecular formula of Desacetyl-alacepril is C18H24N2O4S.
What is the molecular weight of Desacetyl-alacepril?
The molecular weight of Desacetyl-alacepril is 364.15 g/mol.
Where can I buy Desacetyl-alacepril?
You can request a quote for Desacetyl-alacepril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetyl-alacepril?
Yes, KEHONG BIO provides custom synthesis services for Desacetyl-alacepril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.