2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile
TL;DR: 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile (CAS 1005103-47-8) is a chemical compound with molecular formula C24H31N3O5 and molecular weight 441.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-4,4a,6,7,8,8a-hexahydrochromene-3-carbonitrile
Also Known As: 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile, 2-amino-4-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-4,4a,6,7,8,8a-hexahydrochromene-3-carbonitrile, 2-amino-4-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C24H31N3O5 |
|---|---|
| Molecular Weight | 441.23 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.22638 |
| Heavy Atoms | 32 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 1005103-47-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3C(CCCC3=O)OC(=C2C#N)N)OCCN4CCOCC4 |
| InChIKey | HOBDXMMBUUQKFW-UHFFFAOYSA-N |
Product Overview
2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile (CAS 1005103-47-8), with molecular formula C24H31N3O5 and molecular weight 441.23 g/mol. IUPAC: 2-amino-4-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-4,4a,6,7,8,8a-hexahydrochromene-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile
Property Insights of 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile 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 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile?
The CAS number of 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile is 1005103-47-8.
What is the molecular formula of 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile?
The molecular formula of 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile is C24H31N3O5.
What is the molecular weight of 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile?
The molecular weight of 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile is 441.23 g/mol.
Where can I buy 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile?
You can request a quote for 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-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-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-5-oxo-4a,5,6,7,8,8a-hexahydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.