![ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate structure](/static/products/3625/362501-22-2.webp)
ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate
TL;DR: ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate (CAS 362501-22-2) is a chemical compound with molecular formula C17H17BrN2O3S2 and molecular weight 439.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]propanoate
Also Known As: ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate, F0513-0109, F0579-0779, ethyl 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]propanoate, ethyl 2-((3-(4-bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)propanoate
| Molecular Formula | C17H17BrN2O3S2 |
|---|---|
| Molecular Weight | 439.99 g/mol |
| LogP | 3.6869 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.9864 |
| Heavy Atoms | 25 |
| Complexity | 852.20685 |
Chemical Identifiers
| CAS Number | 362501-22-2 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Br)SCC2 |
Product Overview
ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate (CAS 362501-22-2), with molecular formula C17H17BrN2O3S2 and molecular weight 439.99 g/mol. IUPAC: ethyl 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]propanoate.
Chemical Property Profile of ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate
Property Insights of ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate
The XLogP value of 3.6869 indicates that ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate. Following Lipinski's Rule of Five, ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate 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 ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate?
The CAS number of ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate is 362501-22-2.
What is the molecular formula of ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate?
The molecular formula of ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate is C17H17BrN2O3S2.
What is the molecular weight of ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate?
The molecular weight of ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate is 439.99 g/mol.
Where can I buy ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate?
You can request a quote for ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.