![3-(3-ethoxypropyl)-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/835/835896-85-0.png)
3-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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 835896-85-0) is a chemical compound with molecular formula C20H25N3O3S and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-(3-ethoxypropyl)-5,5,13-trimethyl-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-(3-ethoxypropyl)-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, 3-(3-ethoxypropyl)-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 | C20H25N3O3S |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 3.59252 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.16165 |
| Heavy Atoms | 27 |
| Complexity | 1067.9355 |
Chemical Identifiers
| CAS Number | 835896-85-0 |
|---|---|
| SMILES | CCOCCCN1C(=NC2=C(C1=O)SC3=C2C=C4COC(CC4=N3)(C)C)C |
Product Overview
3-(3-ethoxypropyl)-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 835896-85-0), with molecular formula C20H25N3O3S and molecular weight 387.16 g/mol. IUPAC: 14-(3-ethoxypropyl)-5,5,13-trimethyl-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-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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 3.59252 indicates that 3-(3-ethoxypropyl)-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. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-ethoxypropyl)-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. Following Lipinski's Rule of Five, 3-(3-ethoxypropyl)-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 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 3-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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 835896-85-0.
What is the molecular formula of 3-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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 C20H25N3O3S.
What is the molecular weight of 3-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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 387.16 g/mol.
Where can I buy 3-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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.