trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate
TL;DR: trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate (CAS 51682-76-9) is a chemical compound with molecular formula C21H30N2O5 and molecular weight 390.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
Also Known As: trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate, 1H-Pyrindine-1-propanamide, N-(2,5-dimethylphenyl)octahydro-, trans-, ethanedioate, n-(2,5-dimethylphenyl)-3-[(4ar,7as)-octahydro-1h-cyclopenta[b]pyridin-1-yl]propanamide ethanedioate(1:1), 3-[(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2,5-dimethylphenyl)propanamide; oxalic acid, Oxalic acid--N-(2,5-dimethylphenyl)-3-(octahydro-1H-cyclopenta[b]pyridin-1-yl)propanimidic acid (1/1)
| Molecular Formula | C21H30N2O5 |
|---|---|
| Molecular Weight | 390.22 g/mol |
| LogP | 3.05214 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.21548 |
| Heavy Atoms | 28 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 51682-76-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CCN2CCC[C@@H]3[C@@H]2CCC3.C(=O)(C(=O)O)O |
| InChIKey | HAZJJZZQPCALED-CLRXKPRGSA-N |
Product Overview
trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate (CAS 51682-76-9), with molecular formula C21H30N2O5 and molecular weight 390.22 g/mol. IUPAC: 3-[(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2,5-dimethylphenyl)propanamide;oxalic acid.
Chemical Property Profile of trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate
Property Insights of trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate
The XLogP value of 3.05214 indicates that trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate. Following Lipinski's Rule of Five, trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate has 3 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 trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate?
The CAS number of trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate is 51682-76-9.
What is the molecular formula of trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate?
The molecular formula of trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate is C21H30N2O5.
What is the molecular weight of trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate?
The molecular weight of trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate is 390.22 g/mol.
Where can I buy trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate?
You can request a quote for trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate?
Yes, KEHONG BIO provides custom synthesis services for trans-N-(2,5-Dimethylphenyl)octahydro-1H-pyrindine-1-propanamide oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.