BIM-0003731.P001
TL;DR: BIM-0003731.P001 (CAS 351438-77-2) is a chemical compound with molecular formula C23H22ClF3N4O5S2 and molecular weight 590.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: BIM-0003731.P001, A2733/0116061, diethyl 5-({[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C23H22ClF3N4O5S2 |
|---|---|
| Molecular Weight | 590.07 g/mol |
| LogP | 6.23392 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 590.0672 |
| Heavy Atoms | 38 |
| Complexity | 1370.2036 |
Chemical Identifiers
| CAS Number | 351438-77-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C(CC(NC3=C2Cl)C4=CC=CS4)C(F)(F)F |
Product Overview
BIM-0003731.P001 (CAS 351438-77-2), with molecular formula C23H22ClF3N4O5S2 and molecular weight 590.07 g/mol. IUPAC: diethyl 5-[[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of BIM-0003731.P001
Property Insights of BIM-0003731.P001
The XLogP value of 6.23392 indicates that BIM-0003731.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0003731.P001. Following Lipinski's Rule of Five, BIM-0003731.P001 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0003731.P001?
The CAS number of BIM-0003731.P001 is 351438-77-2.
What is the molecular formula of BIM-0003731.P001?
The molecular formula of BIM-0003731.P001 is C23H22ClF3N4O5S2.
What is the molecular weight of BIM-0003731.P001?
The molecular weight of BIM-0003731.P001 is 590.07 g/mol.
Where can I buy BIM-0003731.P001?
You can request a quote for BIM-0003731.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0003731.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0003731.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.