![2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/5870/587012-77-9.webp)
2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 587012-77-9) is a chemical compound with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((3-methoxybenzyl)thio)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[(3-methoxyphenyl)methylthio]-5,6-dimethyl-3-prop-2-enyl-3-hydrothiopheno[2, 3-d]pyrimidin-4-one, 2-{[(3-methoxyphenyl)methyl]sulfanyl}-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C19H20N2O2S2 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 4.56174 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.09662 |
| Heavy Atoms | 25 |
| Complexity | 988.98816 |
Chemical Identifiers
| CAS Number | 587012-77-9 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)OC)CC=C)C |
Product Overview
2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one (CAS 587012-77-9), with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol. IUPAC: 2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.56174 indicates that 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-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 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is 587012-77-9.
What is the molecular formula of 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is C19H20N2O2S2.
What is the molecular weight of 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one is 372.10 g/mol.
Where can I buy 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.