Alatriopril
TL;DR: Alatriopril (CAS 135038-57-2) is a chemical compound with molecular formula C23H25NO6S and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-2-[[(2S)-2-acetylsulfanyl-3-(1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]propanoate
Also Known As: Alatriopril, Fasidotril, TRICLOPYR-2-BUTOXYETHYLESTER, 99544-EP2270011A1, 99544-EP2298779A1
| Molecular Formula | C23H25NO6S |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 443.14026 |
| Heavy Atoms | 31 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 135038-57-2 |
|---|---|
| SMILES | C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@](C)(CC2=CC3=C(C=C2)OCO3)SC(=O)C |
| InChIKey | HJUXZNGHXWIRNF-WNSKOXEYSA-N |
Product Overview
Alatriopril (CAS 135038-57-2), with molecular formula C23H25NO6S and molecular weight 443.14 g/mol. IUPAC: benzyl (2S)-2-[[(2S)-2-acetylsulfanyl-3-(1,3-benzodioxol-5-yl)-2-methylpropanoyl]amino]propanoate.
Chemical Property Profile of Alatriopril
Property Insights of Alatriopril
The XLogP value of 3.8 indicates that Alatriopril is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alatriopril. Following Lipinski's Rule of Five, Alatriopril has 1 hydrogen bond donor(s) and 7 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 Alatriopril?
The CAS number of Alatriopril is 135038-57-2.
What is the molecular formula of Alatriopril?
The molecular formula of Alatriopril is C23H25NO6S.
What is the molecular weight of Alatriopril?
The molecular weight of Alatriopril is 443.14 g/mol.
Where can I buy Alatriopril?
You can request a quote for Alatriopril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alatriopril?
Yes, KEHONG BIO provides custom synthesis services for Alatriopril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.