BAS 00435116
TL;DR: BAS 00435116 (CAS 294649-60-8) is a chemical compound with molecular formula C12H5BrF3N3O2S and molecular weight 390.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Also Known As: BAS 00435116, AB00091623-01, 3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 3-bromo-5-thien-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
| Molecular Formula | C12H5BrF3N3O2S |
|---|---|
| Molecular Weight | 390.92 g/mol |
| LogP | 3.9373 |
| Topological Polar Surface Area | 67.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.9238 |
| Heavy Atoms | 22 |
| Complexity | 873.9944 |
Chemical Identifiers
| CAS Number | 294649-60-8 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)O)Br |
Product Overview
BAS 00435116 (CAS 294649-60-8), with molecular formula C12H5BrF3N3O2S and molecular weight 390.92 g/mol. IUPAC: 3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
Chemical Property Profile of BAS 00435116
Property Insights of BAS 00435116
The XLogP value of 3.9373 indicates that BAS 00435116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.49 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00435116. Following Lipinski's Rule of Five, BAS 00435116 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00435116?
The CAS number of BAS 00435116 is 294649-60-8.
What is the molecular formula of BAS 00435116?
The molecular formula of BAS 00435116 is C12H5BrF3N3O2S.
What is the molecular weight of BAS 00435116?
The molecular weight of BAS 00435116 is 390.92 g/mol.
Where can I buy BAS 00435116?
You can request a quote for BAS 00435116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435116?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.