![2-{[(Azepan-1-yl)imino]methyl}phenol structure](/static/products/1698/16987-32-9.webp)
2-{[(Azepan-1-yl)imino]methyl}phenol
TL;DR: 2-{[(Azepan-1-yl)imino]methyl}phenol (CAS 16987-32-9) is a chemical compound with molecular formula C13H18N2O and molecular weight 218.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yliminomethyl)phenol
Also Known As: NCIOpen2_004192, 2-{[(Azepan-1-yl)imino]methyl}phenol, o-[N-(Hexahydro-1H-azepin-1-yl)forminidoyl]phenol, Phenol,2-[[(hexahydro-1H-azepin-1-yl)imino]methyl]-
| Molecular Formula | C13H18N2O |
|---|---|
| Molecular Weight | 218.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.1419 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 16987-32-9 |
|---|---|
| SMILES | C1CCCN(CC1)N=CC2=CC=CC=C2O |
| InChIKey | CEMKEHGRUBOXAS-UHFFFAOYSA-N |
Product Overview
2-{[(Azepan-1-yl)imino]methyl}phenol (CAS 16987-32-9), with molecular formula C13H18N2O and molecular weight 218.14 g/mol. IUPAC: 2-(azepan-1-yliminomethyl)phenol.
Chemical Property Profile of 2-{[(Azepan-1-yl)imino]methyl}phenol
Property Insights of 2-{[(Azepan-1-yl)imino]methyl}phenol
The XLogP value of 3.0 indicates that 2-{[(Azepan-1-yl)imino]methyl}phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, 2-{[(Azepan-1-yl)imino]methyl}phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(Azepan-1-yl)imino]methyl}phenol has 1 hydrogen bond donor(s) and 3 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-yl)imino]methyl}phenol?
The CAS number of 2-{[(Azepan-1-yl)imino]methyl}phenol is 16987-32-9.
What is the molecular formula of 2-{[(Azepan-1-yl)imino]methyl}phenol?
The molecular formula of 2-{[(Azepan-1-yl)imino]methyl}phenol is C13H18N2O.
What is the molecular weight of 2-{[(Azepan-1-yl)imino]methyl}phenol?
The molecular weight of 2-{[(Azepan-1-yl)imino]methyl}phenol is 218.14 g/mol.
Where can I buy 2-{[(Azepan-1-yl)imino]methyl}phenol?
You can request a quote for 2-{[(Azepan-1-yl)imino]methyl}phenol 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-yl)imino]methyl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(Azepan-1-yl)imino]methyl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.