![azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone structure](/static/products/4093/409355-68-6.webp)
azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
TL;DR: azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone (CAS 409355-68-6) is a chemical compound with molecular formula C23H28N2O and molecular weight 348.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
Also Known As: ChemDiv3_005507, BAS 02907658, IDI1_023417, AH-487/15274376, BRD-K07604367-001-01-2
| Molecular Formula | C23H28N2O |
|---|---|
| Molecular Weight | 348.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.22015 |
| Heavy Atoms | 26 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 409355-68-6 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3 |
| InChIKey | QTRSDGZQQMQYJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone (CAS 409355-68-6), with molecular formula C23H28N2O and molecular weight 348.22 g/mol. IUPAC: azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone.
Chemical Property Profile of azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
Property Insights of azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone
The XLogP value of 3.9 indicates that azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone 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 azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
The CAS number of azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone is 409355-68-6.
What is the molecular formula of azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
The molecular formula of azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone is C23H28N2O.
What is the molecular weight of azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
The molecular weight of azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone is 348.22 g/mol.
Where can I buy azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
You can request a quote for azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.