ChemDiv1_001868
TL;DR: ChemDiv1_001868 (CAS 313244-39-2) is a chemical compound with molecular formula C22H18N2O6 and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile
Also Known As: ChemDiv1_001868, BAS 00915219, AB00074631-01, 2-amino-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile, 2-amino-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile
| Molecular Formula | C22H18N2O6 |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 3.03698 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.1165 |
| Heavy Atoms | 30 |
| Complexity | 1285.2529 |
Chemical Identifiers
| CAS Number | 313244-39-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2C(=C(OC3=C2C(=O)OC4=CC=CC=C43)N)C#N)OC)OC |
Product Overview
ChemDiv1_001868 (CAS 313244-39-2), with molecular formula C22H18N2O6 and molecular weight 406.12 g/mol. IUPAC: 2-amino-5-oxo-4-(2,3,4-trimethoxyphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile.
Chemical Property Profile of ChemDiv1_001868
Property Insights of ChemDiv1_001868
The XLogP value of 3.03698 indicates that ChemDiv1_001868 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001868. Following Lipinski's Rule of Five, ChemDiv1_001868 has 1 hydrogen bond donor(s) and 8 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_001868?
The CAS number of ChemDiv1_001868 is 313244-39-2.
What is the molecular formula of ChemDiv1_001868?
The molecular formula of ChemDiv1_001868 is C22H18N2O6.
What is the molecular weight of ChemDiv1_001868?
The molecular weight of ChemDiv1_001868 is 406.12 g/mol.
Where can I buy ChemDiv1_001868?
You can request a quote for ChemDiv1_001868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001868?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.