![2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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/4967/496795-98-3.webp)
2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one
TL;DR: 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one (CAS 496795-98-3) is a chemical compound with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-ethyl-5,5-dimethyl-14-(oxolan-2-ylmethyl)-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: 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one, 2-Ethyl-8,8-dimethyl-3-(tetrahydro-2-furanylmethyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one, 2-ethyl-8,8-dimethyl-3-(tetrahydrofuran-2-ylmethyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H25N3O3S |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 3.5989 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.16165 |
| Heavy Atoms | 28 |
| Complexity | 1125.559 |
Chemical Identifiers
| CAS Number | 496795-98-3 |
|---|---|
| SMILES | CCC1=NC2=C(C(=O)N1CC3CCCO3)SC4=C2C=C5COC(CC5=N4)(C)C |
Product Overview
2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one (CAS 496795-98-3), with molecular formula C21H25N3O3S and molecular weight 399.16 g/mol. IUPAC: 13-ethyl-5,5-dimethyl-14-(oxolan-2-ylmethyl)-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 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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 3.5989 indicates that 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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, 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one is 496795-98-3.
What is the molecular formula of 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one is C21H25N3O3S.
What is the molecular weight of 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one is 399.16 g/mol.
Where can I buy 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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 2-ethyl-8,8-dimethyl-3-((tetrahydrofuran-2-yl)methyl)-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.