ChemDiv1_003944
TL;DR: ChemDiv1_003944 (CAS 351894-83-2) is a chemical compound with molecular formula C26H25F3N4O7S and molecular weight 594.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: ChemDiv1_003944, BIM-0002204.P001, diethyl 5-({[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(5-(benzo[d][1,3]dioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-[5-(2H-1,3-BENZODIOXOL-5-YL)-7-(TRIFLUOROMETHYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-AMIDO]-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE
| Molecular Formula | C26H25F3N4O7S |
|---|---|
| Molecular Weight | 594.14 g/mol |
| LogP | 5.24772 |
| Topological Polar Surface Area | 130.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 594.1396 |
| Heavy Atoms | 41 |
| Complexity | 1517.2036 |
Chemical Identifiers
| CAS Number | 351894-83-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C(CC(NC3=C2)C4=CC5=C(C=C4)OCO5)C(F)(F)F |
Product Overview
ChemDiv1_003944 (CAS 351894-83-2), with molecular formula C26H25F3N4O7S and molecular weight 594.14 g/mol. IUPAC: diethyl 5-[[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of ChemDiv1_003944
Property Insights of ChemDiv1_003944
The XLogP value of 5.24772 indicates that ChemDiv1_003944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003944. Following Lipinski's Rule of Five, ChemDiv1_003944 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003944?
The CAS number of ChemDiv1_003944 is 351894-83-2.
What is the molecular formula of ChemDiv1_003944?
The molecular formula of ChemDiv1_003944 is C26H25F3N4O7S.
What is the molecular weight of ChemDiv1_003944?
The molecular weight of ChemDiv1_003944 is 594.14 g/mol.
Where can I buy ChemDiv1_003944?
You can request a quote for ChemDiv1_003944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003944?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.