![3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine structure](/static/products/4428/442865-49-8.webp)
3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
TL;DR: 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 442865-49-8) is a chemical compound with molecular formula C16H13FN4S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-12-(4-fluorophenyl)-11-methyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: ChemDiv3_003208, IDI1_021118, 3-ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine, F1174-3140, AF-399/40806285
| Molecular Formula | C16H13FN4S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 4.01592 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.0845 |
| Heavy Atoms | 22 |
| Complexity | 984.89374 |
Chemical Identifiers
| CAS Number | 442865-49-8 |
|---|---|
| SMILES | CCC1=NN=C2N1C=NC3=C2C(=C(S3)C)C4=CC=C(C=C4)F |
Product Overview
3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine (CAS 442865-49-8), with molecular formula C16H13FN4S and molecular weight 312.08 g/mol. IUPAC: 5-ethyl-12-(4-fluorophenyl)-11-methyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Property Insights of 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
The XLogP value of 4.01592 indicates that 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine has 0 hydrogen bond donor(s) and 4 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 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The CAS number of 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 442865-49-8.
What is the molecular formula of 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular formula of 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is C16H13FN4S.
What is the molecular weight of 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
The molecular weight of 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine is 312.08 g/mol.
Where can I buy 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
You can request a quote for 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.