![8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one structure](/static/products/847/847176-79-8.png)
8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one
TL;DR: 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one (CAS 847176-79-8) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-14-(2-oxo-2-pyrrolidin-1-ylethyl)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
Also Known As: 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one, 8,8-dimethyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 2.4799 |
| Topological Polar Surface Area | 77.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 1157.6627 |
Chemical Identifiers
| CAS Number | 847176-79-8 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=O)N(C=N4)CC(=O)N5CCCC5)C |
Product Overview
8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one (CAS 847176-79-8), with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol. IUPAC: 5,5-dimethyl-14-(2-oxo-2-pyrrolidin-1-ylethyl)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one.
Chemical Property Profile of 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one
Property Insights of 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one
The XLogP value of 2.4799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one. The TPSA of 77.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one. Following Lipinski's Rule of Five, 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one has 0 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 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one?
The CAS number of 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one is 847176-79-8.
What is the molecular formula of 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one?
The molecular formula of 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one is C20H22N4O3S.
What is the molecular weight of 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one?
The molecular weight of 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one is 398.14 g/mol.
Where can I buy 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one?
You can request a quote for 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one 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-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8,8-dimethyl-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.