![3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide structure](/static/products/1005/1005565-80-9.webp)
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
TL;DR: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CAS 1005565-80-9) is a chemical compound with molecular formula C18H17BrF3N5O2S and molecular weight 503.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
Also Known As: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide, 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanamide, 3-[4-BROMO-5-CYCLOPROPYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-N-[2,6-DIMETHYL-4-OXOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]PROPANAMIDE
| Molecular Formula | C18H17BrF3N5O2S |
|---|---|
| Molecular Weight | 503.02 g/mol |
| LogP | 4.09044 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.02383 |
| Heavy Atoms | 30 |
| Complexity | 1209.3197 |
Chemical Identifiers
| CAS Number | 1005565-80-9 |
|---|---|
| SMILES | CC1=CC2=C(S1)N=C(N(C2=O)NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4)C |
Product Overview
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CAS 1005565-80-9), with molecular formula C18H17BrF3N5O2S and molecular weight 503.02 g/mol. IUPAC: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
Chemical Property Profile of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
Property Insights of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
The XLogP value of 4.09044 indicates that 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide. Following Lipinski's Rule of Five, 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide 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 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The CAS number of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is 1005565-80-9.
What is the molecular formula of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The molecular formula of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is C18H17BrF3N5O2S.
What is the molecular weight of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The molecular weight of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is 503.02 g/mol.
Where can I buy 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
You can request a quote for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.