RefChem:438852
TL;DR: RefChem:438852 (CAS 62335-65-3) is a chemical compound with molecular formula C22H22N4O4 and molecular weight 406.16 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-propoxypropyl)naphtho[2,3-f]isoindole-3,5,10-trione
Also Known As: ethyl(2-methoxyphenyl)acetate, 1H-Naphth(2,3-f)isoindole-1,5,10-trione, 4,11-diamino-2,3-dihydro-3-imino-2-(3-propoxypropyl)-, 1H-Naphth[2,3-f]isoindole-1,5,10-trione, 4,11-diamino-2,3-dihydro-3-imino-2-(3-propoxypropyl)-, (3z)-4,11-diamino-3-imino-2-(3-propoxypropyl)-2,3-dihydro-1h-naphtho[2,3-f]isoindole-1,5,10-trione, 4,11-Diamino-2,3-dihydro-3-imino-2-(3-propoxypropyl)-1H-naphth[2,3-f]isoindole-1,5,10-trione
| Molecular Formula | C22H22N4O4 |
|---|---|
| Molecular Weight | 406.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1641 |
| Heavy Atoms | 30 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 62335-65-3 |
|---|---|
| SMILES | CCCOCCCN1C(=N)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N |
| InChIKey | MRKCCNIBTBDTBE-UHFFFAOYSA-N |
Product Overview
RefChem:438852 (CAS 62335-65-3), with molecular formula C22H22N4O4 and molecular weight 406.16 g/mol. IUPAC: 4,11-diamino-1-imino-2-(3-propoxypropyl)naphtho[2,3-f]isoindole-3,5,10-trione.
Chemical Property Profile of RefChem:438852
Property Insights of RefChem:438852
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:438852. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:438852 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:438852 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 RefChem:438852?
The CAS number of RefChem:438852 is 62335-65-3.
What is the molecular formula of RefChem:438852?
The molecular formula of RefChem:438852 is C22H22N4O4.
What is the molecular weight of RefChem:438852?
The molecular weight of RefChem:438852 is 406.16 g/mol.
Where can I buy RefChem:438852?
You can request a quote for RefChem:438852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438852?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.