![3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/840/840518-97-0.png)
3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 840518-97-0) is a chemical compound with molecular formula C19H20N2O3S2 and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxyphenyl)-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 3-(4-ethoxyphenyl)-6,6-dimethyl-2-sulfanyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C19H20N2O3S2 |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 4.35979 |
| Topological Polar Surface Area | 56.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.09152 |
| Heavy Atoms | 26 |
| Complexity | 1090.9003 |
Chemical Identifiers
| CAS Number | 840518-97-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CC(OC4)(C)C |
Product Overview
3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 840518-97-0), with molecular formula C19H20N2O3S2 and molecular weight 388.09 g/mol. IUPAC: 4-(4-ethoxyphenyl)-12,12-dimethyl-5-sulfanylidene-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 4.35979 indicates that 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.25 Ų, 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 1 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-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 840518-97-0.
What is the molecular formula of 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C19H20N2O3S2.
What is the molecular weight of 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 388.09 g/mol.
Where can I buy 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethoxyphenyl)-2-mercapto-6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.