Opera_ID_68
TL;DR: Opera_ID_68 (CAS 1005041-41-7) is a chemical compound with molecular formula C21H25NO3S and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-thiophen-2-ylmethanone
Also Known As: (4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone, [4a-Hydroxy-1-(4-methoxy-phenyl)-octahydro-isoquinolin-2-yl]-thiophen-2-yl-methanone, [4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl](thiophen-2-yl)methanone, [4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-thiophen-2-ylmethanone, Opera_ID_68
| Molecular Formula | C21H25NO3S |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 4.2652 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.15552 |
| Heavy Atoms | 26 |
| Complexity | 758.0732 |
Chemical Identifiers
| CAS Number | 1005041-41-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3CCCCC3(CCN2C(=O)C4=CC=CS4)O |
Product Overview
Opera_ID_68 (CAS 1005041-41-7), with molecular formula C21H25NO3S and molecular weight 371.16 g/mol. IUPAC: [4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of Opera_ID_68
Property Insights of Opera_ID_68
The XLogP value of 4.2652 indicates that Opera_ID_68 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, Opera_ID_68 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Opera_ID_68 has 1 hydrogen bond donor(s) and 4 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 Opera_ID_68?
The CAS number of Opera_ID_68 is 1005041-41-7.
What is the molecular formula of Opera_ID_68?
The molecular formula of Opera_ID_68 is C21H25NO3S.
What is the molecular weight of Opera_ID_68?
The molecular weight of Opera_ID_68 is 371.16 g/mol.
Where can I buy Opera_ID_68?
You can request a quote for Opera_ID_68 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_68?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_68 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.