![ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate structure](/static/products/7167/7167-04-6.webp)
ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
TL;DR: ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (CAS 7167-04-6) is a chemical compound with molecular formula C18H14F2N4O3S and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(difluoromethoxy)phenyl]-12-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
Also Known As: ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
| Molecular Formula | C18H14F2N4O3S |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 4.09252 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.07547 |
| Heavy Atoms | 28 |
| Complexity | 1171.2236 |
Chemical Identifiers
| CAS Number | 7167-04-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=CN3C2=NC(=N3)C4=CC=C(C=C4)OC(F)F)C |
Product Overview
ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate (CAS 7167-04-6), with molecular formula C18H14F2N4O3S and molecular weight 404.08 g/mol. IUPAC: ethyl 4-[4-(difluoromethoxy)phenyl]-12-methyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate.
Chemical Property Profile of ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Property Insights of ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
The XLogP value of 4.09252 indicates that ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate has 0 hydrogen bond donor(s) and 7 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-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The CAS number of ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is 7167-04-6.
What is the molecular formula of ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The molecular formula of ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is C18H14F2N4O3S.
What is the molecular weight of ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
The molecular weight of ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate is 404.08 g/mol.
Where can I buy ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
You can request a quote for ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[4-(difluoromethoxy)phenyl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.