J1.207.593F
TL;DR: J1.207.593F (CAS 180422-22-4) is a chemical compound with molecular formula C39H38N4O5 and molecular weight 642.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(Z)-[(5Z)-5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene]methyl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide
Also Known As: J1.207.593F, 3-[(Z)-[(5Z)-5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene]methyl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide, 3-((Z)-((Z)-5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene)methyl)-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)benzamide, N-[4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-yl)ethyl]phenyl]-3-[[(2Z,5Z)-1-methyl-2-benzylidene-3,6-dioxopiperazine-5-ylidene]methyl]benzamide, N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]phenyl}-3-{[(2Z,5Z)-4-methyl-3,6-dioxo-5-(phenylmethylidene)piperazin-2-ylidene]methyl}benzamide
| Molecular Formula | C39H38N4O5 |
|---|---|
| Molecular Weight | 642.28 g/mol |
| LogP | 3.6015 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 642.28424 |
| Heavy Atoms | 48 |
| Complexity | 2187.8213 |
Chemical Identifiers
| CAS Number | 180422-22-4 |
|---|---|
| SMILES | CN1/C(=C\C2=CC=CC=C2)/C(=O)N/C(=C\C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC)/C1=O |
Product Overview
J1.207.593F (CAS 180422-22-4), with molecular formula C39H38N4O5 and molecular weight 642.28 g/mol. IUPAC: 3-[(Z)-[(5Z)-5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene]methyl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]benzamide.
Chemical Property Profile of J1.207.593F
Property Insights of J1.207.593F
The XLogP value of 3.6015 indicates that J1.207.593F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.66 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.207.593F. Following Lipinski's Rule of Five, J1.207.593F has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.207.593F?
The CAS number of J1.207.593F is 180422-22-4.
What is the molecular formula of J1.207.593F?
The molecular formula of J1.207.593F is C39H38N4O5.
What is the molecular weight of J1.207.593F?
The molecular weight of J1.207.593F is 642.28 g/mol.
Where can I buy J1.207.593F?
You can request a quote for J1.207.593F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.207.593F?
Yes, KEHONG BIO provides custom synthesis services for J1.207.593F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.