1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol
TL;DR: 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol (CAS 487005-81-2) is a chemical compound with molecular formula C21H28N2O and molecular weight 324.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol
Also Known As: BAS 01025462, 1-(1-azepanyl)-3-(diphenylamino)-2-propanol, 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol, 1-Azepan-1-yl-3-diphenylamino-propan-2-ol, 1-(azepan-1-yl)-3-(diphenylamino)propan-2-ol
| Molecular Formula | C21H28N2O |
|---|---|
| Molecular Weight | 324.22 g/mol |
| LogP | 4.0616 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.22015 |
| Heavy Atoms | 24 |
| Complexity | 539.8024 |
Chemical Identifiers
| CAS Number | 487005-81-2 |
|---|---|
| SMILES | C1CCCN(CC1)CC(CN(C2=CC=CC=C2)C3=CC=CC=C3)O |
Product Overview
1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol (CAS 487005-81-2), with molecular formula C21H28N2O and molecular weight 324.22 g/mol. IUPAC: 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol.
Chemical Property Profile of 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol
Property Insights of 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol
The XLogP value of 4.0616 indicates that 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.71 Ų, 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol 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 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol?
The CAS number of 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol is 487005-81-2.
What is the molecular formula of 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol?
The molecular formula of 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol is C21H28N2O.
What is the molecular weight of 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol?
The molecular weight of 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol is 324.22 g/mol.
Where can I buy 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol?
You can request a quote for 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(azepan-1-yl)-3-(N-phenylanilino)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.