ChemDiv1_003598
TL;DR: ChemDiv1_003598 (CAS 302796-49-2) is a chemical compound with molecular formula C24H22N2O5 and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-butoxy-3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
Also Known As: ChemDiv1_003598, NPE472, 2-amino-4-(4-butoxy-3-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile, 2-amino-4-(4-butoxy-3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile, 2-amino-4-(4-butoxy-3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonit rile
| Molecular Formula | C24H22N2O5 |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 4.19868 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.15286 |
| Heavy Atoms | 31 |
| Complexity | 1269.1803 |
Chemical Identifiers
| CAS Number | 302796-49-2 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)OC4=CC=CC=C43)N)C#N)OC |
Product Overview
ChemDiv1_003598 (CAS 302796-49-2), with molecular formula C24H22N2O5 and molecular weight 418.15 g/mol. IUPAC: 2-amino-4-(4-butoxy-3-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.
Chemical Property Profile of ChemDiv1_003598
Property Insights of ChemDiv1_003598
The XLogP value of 4.19868 indicates that ChemDiv1_003598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003598. Following Lipinski's Rule of Five, ChemDiv1_003598 has 1 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 ChemDiv1_003598?
The CAS number of ChemDiv1_003598 is 302796-49-2.
What is the molecular formula of ChemDiv1_003598?
The molecular formula of ChemDiv1_003598 is C24H22N2O5.
What is the molecular weight of ChemDiv1_003598?
The molecular weight of ChemDiv1_003598 is 418.15 g/mol.
Where can I buy ChemDiv1_003598?
You can request a quote for ChemDiv1_003598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003598?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.