![2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/3792/379239-29-9.webp)
2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 379239-29-9) is a chemical compound with molecular formula C22H27N3O3S2 and molecular weight 445.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
Also Known As: 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-allyl-2-((2-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one, 2-{2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethylthio}-5,6-dimethyl -3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one, 3-allyl-2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H27N3O3S2 |
|---|---|
| Molecular Weight | 445.15 g/mol |
| LogP | 4.30058 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.14938 |
| Heavy Atoms | 30 |
| Complexity | 1170.9454 |
Chemical Identifiers
| CAS Number | 379239-29-9 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C |
Product Overview
2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 379239-29-9), with molecular formula C22H27N3O3S2 and molecular weight 445.15 g/mol. IUPAC: 2-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 4.30058 indicates that 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-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-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is 379239-29-9.
What is the molecular formula of 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is C22H27N3O3S2.
What is the molecular weight of 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one is 445.15 g/mol.
Where can I buy 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-5,6-dimethyl-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.