Orbutopril
TL;DR: Orbutopril (CAS 108391-88-4) is a chemical compound with molecular formula C20H34N2O5 and molecular weight 382.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]amino]hexanoic acid
Also Known As: Orbutopril, (2S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]amino]hexanoic acid, N-{(2S)-1-[(2S,3aS,7aS)-2-(Ethoxycarbonyl)octahydro-1H-indol-1-yl]-1-oxopropan-2-yl}-L-norleucine
| Molecular Formula | C20H34N2O5 |
|---|---|
| Molecular Weight | 382.25 g/mol |
| LogP | 2.3307 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 382.24677 |
| Heavy Atoms | 27 |
| Complexity | 538.4651 |
Chemical Identifiers
| CAS Number | 108391-88-4 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)OCC |
Product Overview
Orbutopril (CAS 108391-88-4), with molecular formula C20H34N2O5 and molecular weight 382.25 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2S,3aS,7aS)-2-ethoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-oxopropan-2-yl]amino]hexanoic acid.
Chemical Property Profile of Orbutopril
Property Insights of Orbutopril
The XLogP value of 2.3307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orbutopril. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Orbutopril. Following Lipinski's Rule of Five, Orbutopril has 2 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 Orbutopril?
The CAS number of Orbutopril is 108391-88-4.
What is the molecular formula of Orbutopril?
The molecular formula of Orbutopril is C20H34N2O5.
What is the molecular weight of Orbutopril?
The molecular weight of Orbutopril is 382.25 g/mol.
Where can I buy Orbutopril?
You can request a quote for Orbutopril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orbutopril?
Yes, KEHONG BIO provides custom synthesis services for Orbutopril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.