![2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide structure](/static/products/6777/677767-65-6.webp)
2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide
TL;DR: 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide (CAS 677767-65-6) is a chemical compound with molecular formula C19H16BrF2N3O2S2 and molecular weight 498.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Also Known As: 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide, 2-(5,6-dimethyl-4-oxo-3-prop-2-enyl(3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio) )-N-(2-bromo-4,6-difluorophenyl)acetamide, N-(2-bromo-4,6-difluorophenyl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide, N-(2-bromo-4,6-difluorophenyl)-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(2-bromo-4,6-difluorophenyl)-2-{[5,6-dimethyl-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C19H16BrF2N3O2S2 |
|---|---|
| Molecular Weight | 498.98 g/mol |
| LogP | 5.03234 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.98355 |
| Heavy Atoms | 29 |
| Complexity | 1167.3866 |
Chemical Identifiers
| CAS Number | 677767-65-6 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3Br)F)F)CC=C)C |
Product Overview
2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide (CAS 677767-65-6), with molecular formula C19H16BrF2N3O2S2 and molecular weight 498.98 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide
Property Insights of 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide
The XLogP value of 5.03234 indicates that 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide?
The CAS number of 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide is 677767-65-6.
What is the molecular formula of 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide?
The molecular formula of 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide is C19H16BrF2N3O2S2.
What is the molecular weight of 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide?
The molecular weight of 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide is 498.98 g/mol.
Where can I buy 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide?
You can request a quote for 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-allyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.