![2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile structure](/static/products/4452/445222-21-9.webp)
2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile
TL;DR: 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile (CAS 445222-21-9) is a chemical compound with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-12,14-dimethyl-8-oxo-6-phenyl-3-oxa-17-thia-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),4,11(16),12,14-hexaene-5-carbonitrile
Also Known As: 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile, 4-Amino-12,14-dimethyl-8-oxo-6-phenyl-3-oxa-17-thia-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),4,11(16),12,14-hexaene-5-carbonitrile, 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]thieno[3,2-b:5,4-b']dipyridine-3-carbonitrile, 4-amino-12,14-dimethyl-8-oxo-6-phenyl-3-oxa-17-thia-9,15-diazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),4,11(16),12,14-hexaene-5-carbonitrile
| Molecular Formula | C22H16N4O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 3.97282 |
| Topological Polar Surface Area | 104.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 400.0994 |
| Heavy Atoms | 29 |
| Complexity | 1441.4623 |
Chemical Identifiers
| CAS Number | 445222-21-9 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C4=C(C(C(=C(O4)N)C#N)C5=CC=CC=C5)C(=O)N3)C |
Product Overview
2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile (CAS 445222-21-9), with molecular formula C22H16N4O2S and molecular weight 400.10 g/mol. IUPAC: 4-amino-12,14-dimethyl-8-oxo-6-phenyl-3-oxa-17-thia-9,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),4,11(16),12,14-hexaene-5-carbonitrile.
Chemical Property Profile of 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile
Property Insights of 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile
The XLogP value of 3.97282 indicates that 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile has 2 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 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile?
The CAS number of 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile is 445222-21-9.
What is the molecular formula of 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile?
The molecular formula of 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile is C22H16N4O2S.
What is the molecular weight of 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile?
The molecular weight of 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile is 400.10 g/mol.
Where can I buy 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile?
You can request a quote for 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-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-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-7,9-dimethyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[2,3-d]pyrido[3',2':4,5]thieno[3,2-b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.