(4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone
TL;DR: (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone (CAS 1005045-36-2) is a chemical compound with molecular formula C23H26ClNO2 and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4a-chloro-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(3-methoxyphenyl)methanone
Also Known As: 4a-chloro-2-(3-methoxybenzoyl)-1-phenyl-decahydroisoquinoline, (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone, F1654-0129, (4a-chloro-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(3-methoxyphenyl)methanone, Isoquinoline, 4a-chlorodecahydro-2-(3-methoxybenzoyl)-1-phenyl-
| Molecular Formula | C23H26ClNO2 |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 5.4502 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.1652 |
| Heavy Atoms | 27 |
| Complexity | 809.03546 |
Chemical Identifiers
| CAS Number | 1005045-36-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)N2CCC3(CCCCC3C2C4=CC=CC=C4)Cl |
Product Overview
(4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone (CAS 1005045-36-2), with molecular formula C23H26ClNO2 and molecular weight 383.17 g/mol. IUPAC: (4a-chloro-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(3-methoxyphenyl)methanone.
Chemical Property Profile of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone
Property Insights of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone
The XLogP value of 5.4502 indicates that (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone?
The CAS number of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone is 1005045-36-2.
What is the molecular formula of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone?
The molecular formula of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone is C23H26ClNO2.
What is the molecular weight of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone?
The molecular weight of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone is 383.17 g/mol.
Where can I buy (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone?
You can request a quote for (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(3-methoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.