4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline
TL;DR: 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline (CAS 1005040-56-1) is a chemical compound with molecular formula C23H26ClNO and molecular weight 367.17 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)-(4-methylphenyl)methanone
Also Known As: 4a-chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline, (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(p-tolyl)methanone, F1654-0126, (4a-chloro-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methylphenyl)methanone, Isoquinoline, 4a-chlorodecahydro-2-(4-methylbenzoyl)-1-phenyl-
| Molecular Formula | C23H26ClNO |
|---|---|
| Molecular Weight | 367.17 g/mol |
| LogP | 5.75002 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.1703 |
| Heavy Atoms | 26 |
| Complexity | 772.5546 |
Chemical Identifiers
| CAS Number | 1005040-56-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCC3(CCCCC3C2C4=CC=CC=C4)Cl |
Product Overview
4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline (CAS 1005040-56-1), with molecular formula C23H26ClNO and molecular weight 367.17 g/mol. IUPAC: (4a-chloro-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methylphenyl)methanone.
Chemical Property Profile of 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline
Property Insights of 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline
The XLogP value of 5.75002 indicates that 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline has 0 hydrogen bond donor(s) and 1 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-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline?
The CAS number of 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline is 1005040-56-1.
What is the molecular formula of 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline?
The molecular formula of 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline is C23H26ClNO.
What is the molecular weight of 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline?
The molecular weight of 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline is 367.17 g/mol.
Where can I buy 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline?
You can request a quote for 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4a-Chloro-2-(4-methylbenzoyl)-1-phenyl-decahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.