Trandolaprilat
TL;DR: Trandolaprilat (CAS 83601-86-9) is a chemical compound with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Also Known As: Trandolaprilat, Trandolaprilate, Trandolaprilatum, trandolapril diacid, Trandolaprilat?
| Molecular Formula | C22H30N2O5 |
|---|---|
| Molecular Weight | 402.22 g/mol |
| LogP | 2.2948 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.21548 |
| Heavy Atoms | 29 |
| Complexity | 737.97797 |
Chemical Identifiers
| CAS Number | 83601-86-9 |
|---|---|
| SMILES | C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O |
Product Overview
Trandolaprilat (CAS 83601-86-9), with molecular formula C22H30N2O5 and molecular weight 402.22 g/mol. IUPAC: (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid.
Chemical Property Profile of Trandolaprilat
Property Insights of Trandolaprilat
The XLogP value of 2.2948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trandolaprilat. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Trandolaprilat. Following Lipinski's Rule of Five, Trandolaprilat has 3 hydrogen bond donor(s) and 4 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 Trandolaprilat?
The CAS number of Trandolaprilat is 83601-86-9.
What is the molecular formula of Trandolaprilat?
The molecular formula of Trandolaprilat is C22H30N2O5.
What is the molecular weight of Trandolaprilat?
The molecular weight of Trandolaprilat is 402.22 g/mol.
Where can I buy Trandolaprilat?
You can request a quote for Trandolaprilat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trandolaprilat?
Yes, KEHONG BIO provides custom synthesis services for Trandolaprilat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.