BAS 00691156
TL;DR: BAS 00691156 (CAS 326921-33-9) is a chemical compound with molecular formula C26H22BrF3N4O6S and molecular weight 654.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: BAS 00691156, diethyl 5-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate, diethyl 5-[[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-[3-BROMO-5-(4-METHOXYPHENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-AMIDO]-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, diethyl 5-(3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C26H22BrF3N4O6S |
|---|---|
| Molecular Weight | 654.04 g/mol |
| LogP | 6.16182 |
| Topological Polar Surface Area | 121.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 654.03955 |
| Heavy Atoms | 41 |
| Complexity | 1649.8491 |
Chemical Identifiers
| CAS Number | 326921-33-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=C(C=C4)OC)C(F)(F)F |
Product Overview
BAS 00691156 (CAS 326921-33-9), with molecular formula C26H22BrF3N4O6S and molecular weight 654.04 g/mol. IUPAC: diethyl 5-[[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of BAS 00691156
Property Insights of BAS 00691156
The XLogP value of 6.16182 indicates that BAS 00691156 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00691156. Following Lipinski's Rule of Five, BAS 00691156 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 00691156?
The CAS number of BAS 00691156 is 326921-33-9.
What is the molecular formula of BAS 00691156?
The molecular formula of BAS 00691156 is C26H22BrF3N4O6S.
What is the molecular weight of BAS 00691156?
The molecular weight of BAS 00691156 is 654.04 g/mol.
Where can I buy BAS 00691156?
You can request a quote for BAS 00691156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00691156?
Yes, KEHONG BIO provides custom synthesis services for BAS 00691156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.