RefChem:376452
TL;DR: RefChem:376452 (CAS 53725-49-8) is a chemical compound with molecular formula C21H38N2O and molecular weight 334.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-1-(4-butyl-2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethanone
Also Known As: Pyridine, 1,2,3,6-tetrahydro-4-butyl-1-((hexahydro-1H-azepinyl)acetyl)-2,2,6,6-tetramethyl-, Pyridine, 4-butyl-1-((hexahydro-1H-azepinyl)acetyl)-1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-, 2-(azepan-1-yl)-1-(4-butyl-2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethanone, 1,2,3,6-Tetrahydro-4-butyl-1-(hexahydro-1H-azepin-1-ylacetyl)-2,2,6,6-tetramethylpyridine, 2-(azepan-1-yl)-1-(4-butyl-2,2,6,6-tetramethyl-3,6-dihydropyridin-1(2h)-yl)ethanone
| Molecular Formula | C21H38N2O |
|---|---|
| Molecular Weight | 334.30 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.2984 |
| Heavy Atoms | 24 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 53725-49-8 |
|---|---|
| SMILES | CCCCC1=CC(N(C(C1)(C)C)C(=O)CN2CCCCCC2)(C)C |
| InChIKey | LCIYPQCPCSHMJD-UHFFFAOYSA-N |
Product Overview
RefChem:376452 (CAS 53725-49-8), with molecular formula C21H38N2O and molecular weight 334.30 g/mol. IUPAC: 2-(azepan-1-yl)-1-(4-butyl-2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethanone.
Chemical Property Profile of RefChem:376452
Property Insights of RefChem:376452
The XLogP value of 4.3 indicates that RefChem:376452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:376452 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:376452 has 0 hydrogen bond donor(s) and 2 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 RefChem:376452?
The CAS number of RefChem:376452 is 53725-49-8.
What is the molecular formula of RefChem:376452?
The molecular formula of RefChem:376452 is C21H38N2O.
What is the molecular weight of RefChem:376452?
The molecular weight of RefChem:376452 is 334.30 g/mol.
Where can I buy RefChem:376452?
You can request a quote for RefChem:376452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:376452?
Yes, KEHONG BIO provides custom synthesis services for RefChem:376452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.