RefChem:1065681
TL;DR: RefChem:1065681 (CAS 53525-87-4) is a chemical compound with molecular formula C20H30N2O4 and molecular weight 362.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4,5-trimethoxybenzamide
Also Known As: cis-Decahydro-2-methyl-8-(3,4,5-trimethoxybenzamido)isoquinoline, cis-N-(Decahydro-2-methylisoquinolin-8-yl)-3,4,5-trimethoxybenzamide, Isoquinoline, decahydro-2-methyl-8-(3,4,5-trimethoxybenzamido)-, (Z)-, BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-3,4,5-TRIMETHOXY-, (Z)-, N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4,5-trimethoxybenzamide
| Molecular Formula | C20H30N2O4 |
|---|---|
| Molecular Weight | 362.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.22055 |
| Heavy Atoms | 26 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 53525-87-4 |
|---|---|
| SMILES | CN1CC[C@H]2CCCC([C@H]2C1)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | UYANHVOBUOWDLZ-YISXUXMPSA-N |
Product Overview
RefChem:1065681 (CAS 53525-87-4), with molecular formula C20H30N2O4 and molecular weight 362.22 g/mol. IUPAC: N-[(4aR,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of RefChem:1065681
Property Insights of RefChem:1065681
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065681. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065681. Following Lipinski's Rule of Five, RefChem:1065681 has 1 hydrogen bond donor(s) and 5 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 RefChem:1065681?
The CAS number of RefChem:1065681 is 53525-87-4.
What is the molecular formula of RefChem:1065681?
The molecular formula of RefChem:1065681 is C20H30N2O4.
What is the molecular weight of RefChem:1065681?
The molecular weight of RefChem:1065681 is 362.22 g/mol.
Where can I buy RefChem:1065681?
You can request a quote for RefChem:1065681 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065681?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065681 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.