![2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile structure](/static/products/712/712295-84-6.png)
2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
TL;DR: 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile (CAS 712295-84-6) is a chemical compound with molecular formula C25H21ClN2O5 and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
Also Known As: 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(4-((2-chlorobenzyl)oxy)-3-ethoxyphenyl)-7-methyl-5-oxo-4,5-dihydropyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile, 2-amino-4-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H-pyran o[3,2-c]pyran-3-carbonitrile
| Molecular Formula | C25H21ClN2O5 |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 4.7975 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.1139 |
| Heavy Atoms | 33 |
| Complexity | 1339.3545 |
Chemical Identifiers
| CAS Number | 712295-84-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)OC(=C3)C)N)C#N)OCC4=CC=CC=C4Cl |
Product Overview
2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile (CAS 712295-84-6), with molecular formula C25H21ClN2O5 and molecular weight 464.11 g/mol. IUPAC: 2-amino-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile.
Chemical Property Profile of 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Property Insights of 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
The XLogP value of 4.7975 indicates that 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile 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 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile 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 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile?
The CAS number of 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is 712295-84-6.
What is the molecular formula of 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile?
The molecular formula of 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is C25H21ClN2O5.
What is the molecular weight of 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile?
The molecular weight of 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile is 464.11 g/mol.
Where can I buy 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile?
You can request a quote for 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.