BAS 00231670
TL;DR: BAS 00231670 (CAS 331647-98-4) is a chemical compound with molecular formula C23H19F3N4O5S2 and molecular weight 552.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-2,4-dicarboxylate
Also Known As: BAS 00231670, 2,4-Diethyl 3-methyl-5-[[[5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-2,4-thiophenedicarboxylate, diethyl 3-methyl-5-[[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-2,4-dicarboxylate, ethyl 5-(ethoxycarbonyl)-4-methyl-2-{[5-(2-thienyl)-7-(trifluoromethyl)(8-hydr opyrazolo[1,5-a]pyrimidin-2-yl)]carbonylamino}thiophene-3-carboxylate
| Molecular Formula | C23H19F3N4O5S2 |
|---|---|
| Molecular Weight | 552.07 g/mol |
| LogP | 5.45222 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.0749 |
| Heavy Atoms | 37 |
| Complexity | 1492.3369 |
Chemical Identifiers
| CAS Number | 331647-98-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F |
Product Overview
BAS 00231670 (CAS 331647-98-4), with molecular formula C23H19F3N4O5S2 and molecular weight 552.07 g/mol. IUPAC: diethyl 3-methyl-5-[[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of BAS 00231670
Property Insights of BAS 00231670
The XLogP value of 5.45222 indicates that BAS 00231670 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 00231670. Following Lipinski's Rule of Five, BAS 00231670 has 1 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 BAS 00231670?
The CAS number of BAS 00231670 is 331647-98-4.
What is the molecular formula of BAS 00231670?
The molecular formula of BAS 00231670 is C23H19F3N4O5S2.
What is the molecular weight of BAS 00231670?
The molecular weight of BAS 00231670 is 552.07 g/mol.
Where can I buy BAS 00231670?
You can request a quote for BAS 00231670 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00231670?
Yes, KEHONG BIO provides custom synthesis services for BAS 00231670 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.