(4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
TL;DR: (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone (CAS 1005040-58-3) is a chemical compound with molecular formula C20H22ClNOS and molecular weight 359.11 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)-thiophen-2-ylmethanone
Also Known As: (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone, AS-871/42853856, 4a-chloro-1-phenyl-2-(thiophene-2-carbonyl)-decahydroisoquinoline, (4a-chloro-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-thiophen-2-ylmethanone, 4a-chloro-1-phenyl-2-(2-thienylcarbonyl)decahydroisoquinoline
| Molecular Formula | C20H22ClNOS |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 5.5031 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.11105 |
| Heavy Atoms | 24 |
| Complexity | 701.6936 |
Chemical Identifiers
| CAS Number | 1005040-58-3 |
|---|---|
| SMILES | C1CCC2(CCN(C(C2C1)C3=CC=CC=C3)C(=O)C4=CC=CS4)Cl |
Product Overview
(4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone (CAS 1005040-58-3), with molecular formula C20H22ClNOS and molecular weight 359.11 g/mol. IUPAC: (4a-chloro-1-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-thiophen-2-ylmethanone.
Chemical Property Profile of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
Property Insights of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
The XLogP value of 5.5031 indicates that (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone 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-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)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)(thiophen-2-yl)methanone?
The CAS number of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone is 1005040-58-3.
What is the molecular formula of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone?
The molecular formula of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone is C20H22ClNOS.
What is the molecular weight of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone?
The molecular weight of (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone is 359.11 g/mol.
Where can I buy (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone?
You can request a quote for (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)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)(thiophen-2-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4a-chloro-1-phenyloctahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.