1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1)
TL;DR: 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1) (CAS 41920-88-1) is a chemical compound with molecular formula C23H34N2O5 and molecular weight 418.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-1-yl]-N-(2,6-dimethylphenyl)propanamide;oxalic acid
Also Known As: 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1), 3-[(1R,7S)-8-azabicyclo[5.4.0]undec-8-yl]-N-(2,6-dimethylphenyl)propanamide; Oxalic Acid, 3-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-1-yl]-N-(2,6-dimethylphenyl)propanamide; oxalic acid, Oxalic acid--3-[(4aR,9aS)-decahydro-1H-cyclohepta[b]pyridin-1-yl]-N-(2,6-dimethylphenyl)propanamide (1/1), RefChem:237703
| Molecular Formula | C23H34N2O5 |
|---|---|
| Molecular Weight | 418.25 g/mol |
| LogP | 3.83234 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.24677 |
| Heavy Atoms | 30 |
| Complexity | 716.8591 |
Chemical Identifiers
| CAS Number | 41920-88-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CCN2CCC[C@@H]3[C@@H]2CCCCC3.C(=O)(C(=O)O)O |
Product Overview
1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1) (CAS 41920-88-1), with molecular formula C23H34N2O5 and molecular weight 418.25 g/mol. IUPAC: 3-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]pyridin-1-yl]-N-(2,6-dimethylphenyl)propanamide;oxalic acid.
Chemical Property Profile of 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1)
Property Insights of 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1)
The XLogP value of 3.83234 indicates that 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1). Following Lipinski's Rule of Five, 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1) 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 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1)?
The CAS number of 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1) is 41920-88-1.
What is the molecular formula of 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1)?
The molecular formula of 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1) is C23H34N2O5.
What is the molecular weight of 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1)?
The molecular weight of 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1) is 418.25 g/mol.
Where can I buy 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1)?
You can request a quote for 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Cyclohepta(b)pyridine-1-propanamide, decahydro-N-(2,6-dimethylphenyl)-, trans-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.