![3-isopentyl-2,8,8-trimethyl-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/7089/708993-65-1.webp)
3-isopentyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one
TL;DR: 3-isopentyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one (CAS 708993-65-1) is a chemical compound with molecular formula C20H25N3O2S and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,13-trimethyl-14-(3-methylbutyl)-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: 3-isopentyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one, 2,8,8-trimethyl-3-(3-methylbutyl)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one, 3-ISOPENTYL-2,8,8-TRIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE
| Molecular Formula | C20H25N3O2S |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 4.21202 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.16675 |
| Heavy Atoms | 26 |
| Complexity | 1062.5199 |
Chemical Identifiers
| CAS Number | 708993-65-1 |
|---|---|
| SMILES | CC1=NC2=C(C(=O)N1CCC(C)C)SC3=C2C=C4COC(CC4=N3)(C)C |
Product Overview
3-isopentyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one (CAS 708993-65-1), with molecular formula C20H25N3O2S and molecular weight 371.17 g/mol. IUPAC: 5,5,13-trimethyl-14-(3-methylbutyl)-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 3-isopentyl-2,8,8-trimethyl-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 3-isopentyl-2,8,8-trimethyl-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 4.21202 indicates that 3-isopentyl-2,8,8-trimethyl-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. With a topological polar surface area (TPSA) of 57.01 Ų, 3-isopentyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-isopentyl-2,8,8-trimethyl-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 5 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 3-isopentyl-2,8,8-trimethyl-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 3-isopentyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one is 708993-65-1.
What is the molecular formula of 3-isopentyl-2,8,8-trimethyl-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 3-isopentyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one is C20H25N3O2S.
What is the molecular weight of 3-isopentyl-2,8,8-trimethyl-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 3-isopentyl-2,8,8-trimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one is 371.17 g/mol.
Where can I buy 3-isopentyl-2,8,8-trimethyl-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 3-isopentyl-2,8,8-trimethyl-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 3-isopentyl-2,8,8-trimethyl-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 3-isopentyl-2,8,8-trimethyl-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.