ChemDiv1_010582
TL;DR: ChemDiv1_010582 (CAS 304880-25-9) is a chemical compound with molecular formula C20H13BrN2O4 and molecular weight 424.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-bromo-2-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
Also Known As: ChemDiv1_010582, BAS 00746948, 2-amino-4-(5-bromo-2-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile, AB00078566-01, 2-amino-4-(5-bromo-2-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
| Molecular Formula | C20H13BrN2O4 |
|---|---|
| Molecular Weight | 424.01 g/mol |
| LogP | 3.78228 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.00586 |
| Heavy Atoms | 27 |
| Complexity | 1206.8077 |
Chemical Identifiers
| CAS Number | 304880-25-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C2C(=C(OC3=C2C(=O)OC4=CC=CC=C43)N)C#N |
Product Overview
ChemDiv1_010582 (CAS 304880-25-9), with molecular formula C20H13BrN2O4 and molecular weight 424.01 g/mol. IUPAC: 2-amino-4-(5-bromo-2-methoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.
Chemical Property Profile of ChemDiv1_010582
Property Insights of ChemDiv1_010582
The XLogP value of 3.78228 indicates that ChemDiv1_010582 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010582. Following Lipinski's Rule of Five, ChemDiv1_010582 has 1 hydrogen bond donor(s) and 6 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_010582?
The CAS number of ChemDiv1_010582 is 304880-25-9.
What is the molecular formula of ChemDiv1_010582?
The molecular formula of ChemDiv1_010582 is C20H13BrN2O4.
What is the molecular weight of ChemDiv1_010582?
The molecular weight of ChemDiv1_010582 is 424.01 g/mol.
Where can I buy ChemDiv1_010582?
You can request a quote for ChemDiv1_010582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010582?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.