AB00107344-01
TL;DR: AB00107344-01 (CAS 6418-57-1) is a chemical compound with molecular formula C26H26N2O6 and molecular weight 462.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylphenoxy)ethanone
Also Known As: AB00107344-01, AE-848/15341515, 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylphenoxy)ethanone, 1-{3-nitrophenyl}-6,7-dimethoxy-2-[(4-methylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C26H26N2O6 |
|---|---|
| Molecular Weight | 462.18 g/mol |
| LogP | 4.47352 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.17908 |
| Heavy Atoms | 34 |
| Complexity | 1208.4127 |
Chemical Identifiers
| CAS Number | 6418-57-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC(=CC=C4)[N+](=O)[O-])OC)OC |
Product Overview
AB00107344-01 (CAS 6418-57-1), with molecular formula C26H26N2O6 and molecular weight 462.18 g/mol. IUPAC: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylphenoxy)ethanone.
Chemical Property Profile of AB00107344-01
Property Insights of AB00107344-01
The XLogP value of 4.47352 indicates that AB00107344-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00107344-01. Following Lipinski's Rule of Five, AB00107344-01 has 0 hydrogen bond donor(s) and 6 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 AB00107344-01?
The CAS number of AB00107344-01 is 6418-57-1.
What is the molecular formula of AB00107344-01?
The molecular formula of AB00107344-01 is C26H26N2O6.
What is the molecular weight of AB00107344-01?
The molecular weight of AB00107344-01 is 462.18 g/mol.
Where can I buy AB00107344-01?
You can request a quote for AB00107344-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00107344-01?
Yes, KEHONG BIO provides custom synthesis services for AB00107344-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.