4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline
TL;DR: 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline (CAS 1005045-37-3) 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)-(4-methoxyphenyl)methanone
Also Known As: 4a-chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline, (4a-chloro-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(4-methoxyphenyl)methanone, (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(4-methoxyphenyl)methanone, (4a-chloro-1-phenyldecahydro-2-isoquinolyl)(p-methoxyphenyl)methanone, (4a-Chloro-1-phenyloctahydroisoquinolin-2-yl)(4-methoxyphenyl)methanone
| 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 | 791.78546 |
Chemical Identifiers
| CAS Number | 1005045-37-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)N2CCC3(CCCCC3C2C4=CC=CC=C4)Cl |
Product Overview
4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline (CAS 1005045-37-3), 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)-(4-methoxyphenyl)methanone.
Chemical Property Profile of 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline
Property Insights of 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline
The XLogP value of 5.4502 indicates that 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline 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-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline 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-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline?
The CAS number of 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline is 1005045-37-3.
What is the molecular formula of 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline?
The molecular formula of 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline is C23H26ClNO2.
What is the molecular weight of 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline?
The molecular weight of 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline is 383.17 g/mol.
Where can I buy 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline?
You can request a quote for 4a-Chloro-2-(4-methoxybenzoyl)-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-methoxybenzoyl)-1-phenyl-decahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4a-Chloro-2-(4-methoxybenzoyl)-1-phenyl-decahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.