EINECS 259-691-4
TL;DR: EINECS 259-691-4 (CAS 55525-18-3) is a chemical compound with molecular formula C21H20N4O4 and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,11-diamino-1-imino-2-(3-methoxybutyl)naphtho[2,3-f]isoindole-3,5,10-trione
Also Known As: EINECS 259-691-4, 4,11-diamino-2,3-dihydro-3-imino-2-(3-methoxybutyl)-1H-naphth[2,3-f]isoindole-1,5,10-trione, 4,11-Diamino-2,3-dihydro-3-imino-2-(3-methoxybutyl)-1H-naphth(2,3-f)isoindole-1,5,10-trione, 4,11-diamino-1-imino-2-(3-methoxybutyl)naphtho[2,3-f]isoindole-3,5,10-trione, 3-(3,4-DIMETHOXYPHENYL)-2-(2-METHOXYPHENOXY)PROP-2-ENOIC ACID
| Molecular Formula | C21H20N4O4 |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 0.97277 |
| Topological Polar Surface Area | 141.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.14847 |
| Heavy Atoms | 29 |
| Complexity | 1404.5162 |
Chemical Identifiers
| CAS Number | 55525-18-3 |
|---|---|
| SMILES | CC(CCN1C(=N)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N)OC |
Product Overview
EINECS 259-691-4 (CAS 55525-18-3), with molecular formula C21H20N4O4 and molecular weight 392.15 g/mol. IUPAC: 4,11-diamino-1-imino-2-(3-methoxybutyl)naphtho[2,3-f]isoindole-3,5,10-trione.
Chemical Property Profile of EINECS 259-691-4
Property Insights of EINECS 259-691-4
The XLogP value of 0.97277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 259-691-4. The TPSA of 141.26 Ų indicates high polarity, suggesting EINECS 259-691-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 259-691-4 has 3 hydrogen bond donor(s) and 7 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 EINECS 259-691-4?
The CAS number of EINECS 259-691-4 is 55525-18-3.
What is the molecular formula of EINECS 259-691-4?
The molecular formula of EINECS 259-691-4 is C21H20N4O4.
What is the molecular weight of EINECS 259-691-4?
The molecular weight of EINECS 259-691-4 is 392.15 g/mol.
Where can I buy EINECS 259-691-4?
You can request a quote for EINECS 259-691-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-691-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-691-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.