2-(Azepan-1-ylmethyl)-4,5-dimethylphenol
TL;DR: 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol (CAS 4969-29-3) is a chemical compound with molecular formula C15H23NO and molecular weight 233.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-ylmethyl)-4,5-dimethylphenol
Also Known As: 2-(azepan-1-ylmethyl)-4,5-dimethylphenol, 2-[(Azepan-1-yl)methyl]-4,5-dimethylphenol, 8-methoxy-6-phenyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine
| Molecular Formula | C15H23NO |
|---|---|
| Molecular Weight | 233.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.17796 |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 4969-29-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)O)CN2CCCCCC2 |
| InChIKey | NFZMHUWSLFKQIY-UHFFFAOYSA-N |
Product Overview
2-(Azepan-1-ylmethyl)-4,5-dimethylphenol (CAS 4969-29-3), with molecular formula C15H23NO and molecular weight 233.18 g/mol. IUPAC: 2-(azepan-1-ylmethyl)-4,5-dimethylphenol.
Chemical Property Profile of 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol
Property Insights of 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol
The XLogP value of 3.3 indicates that 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol has 1 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 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol?
The CAS number of 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol is 4969-29-3.
What is the molecular formula of 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol?
The molecular formula of 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol is C15H23NO.
What is the molecular weight of 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol?
The molecular weight of 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol is 233.18 g/mol.
Where can I buy 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol?
You can request a quote for 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Azepan-1-ylmethyl)-4,5-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.