![8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine structure](/static/products/879/879454-33-8.png)
8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine
TL;DR: 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine (CAS 879454-33-8) is a chemical compound with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-4-(4-nitrophenyl)-8-pyrrolidin-1-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-3-amine
Also Known As: 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine
| Molecular Formula | C22H24N4O3S |
|---|---|
| Molecular Weight | 424.16 g/mol |
| LogP | 4.9052 |
| Topological Polar Surface Area | 94.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 424.15692 |
| Heavy Atoms | 30 |
| Complexity | 1147.6393 |
Chemical Identifiers
| CAS Number | 879454-33-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C(=C(S3)C4=CC=C(C=C4)[N+](=O)[O-])N)N5CCCC5)C |
Product Overview
8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine (CAS 879454-33-8), with molecular formula C22H24N4O3S and molecular weight 424.16 g/mol. IUPAC: 12,12-dimethyl-4-(4-nitrophenyl)-8-pyrrolidin-1-yl-11-oxa-5-thia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-3-amine.
Chemical Property Profile of 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine
Property Insights of 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine
The XLogP value of 4.9052 indicates that 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine. Following Lipinski's Rule of Five, 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine 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 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine?
The CAS number of 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine is 879454-33-8.
What is the molecular formula of 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine?
The molecular formula of 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine is C22H24N4O3S.
What is the molecular weight of 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine?
The molecular weight of 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine is 424.16 g/mol.
Where can I buy 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine?
You can request a quote for 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 8,8-dimethyl-2-(4-nitrophenyl)-5-(pyrrolidin-1-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.