BAS 00189434
TL;DR: BAS 00189434 (CAS 304687-19-2) is a chemical compound with molecular formula C25H20ClF3N4O5S and molecular weight 580.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: BAS 00189434, A0829/0038860, diethyl 5-({[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate, diethyl 5-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate, diethyl 5-({[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C25H20ClF3N4O5S |
|---|---|
| Molecular Weight | 580.08 g/mol |
| LogP | 6.04412 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 580.0795 |
| Heavy Atoms | 39 |
| Complexity | 1584.306 |
Chemical Identifiers
| CAS Number | 304687-19-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CC=C4)C(F)(F)F |
Product Overview
BAS 00189434 (CAS 304687-19-2), with molecular formula C25H20ClF3N4O5S and molecular weight 580.08 g/mol. IUPAC: diethyl 5-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of BAS 00189434
Property Insights of BAS 00189434
The XLogP value of 6.04412 indicates that BAS 00189434 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00189434. Following Lipinski's Rule of Five, BAS 00189434 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00189434?
The CAS number of BAS 00189434 is 304687-19-2.
What is the molecular formula of BAS 00189434?
The molecular formula of BAS 00189434 is C25H20ClF3N4O5S.
What is the molecular weight of BAS 00189434?
The molecular weight of BAS 00189434 is 580.08 g/mol.
Where can I buy BAS 00189434?
You can request a quote for BAS 00189434 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00189434?
Yes, KEHONG BIO provides custom synthesis services for BAS 00189434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.