BAS 00435119
TL;DR: BAS 00435119 (CAS 313987-98-3) is a chemical compound with molecular formula C14H9BrF3N3O2S and molecular weight 418.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Also Known As: BAS 00435119, ethyl 3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate, ethyl 3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate, ethyl 3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a]pyrimidi ne-2-carboxylate
| Molecular Formula | C14H9BrF3N3O2S |
|---|---|
| Molecular Weight | 418.96 g/mol |
| LogP | 4.4158 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.95508 |
| Heavy Atoms | 24 |
| Complexity | 906.26074 |
Chemical Identifiers
| CAS Number | 313987-98-3 |
|---|---|
| SMILES | CCOC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=CS3)C(F)(F)F |
Product Overview
BAS 00435119 (CAS 313987-98-3), with molecular formula C14H9BrF3N3O2S and molecular weight 418.96 g/mol. IUPAC: ethyl 3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
Chemical Property Profile of BAS 00435119
Property Insights of BAS 00435119
The XLogP value of 4.4158 indicates that BAS 00435119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, BAS 00435119 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00435119 has 0 hydrogen bond donor(s) and 5 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 00435119?
The CAS number of BAS 00435119 is 313987-98-3.
What is the molecular formula of BAS 00435119?
The molecular formula of BAS 00435119 is C14H9BrF3N3O2S.
What is the molecular weight of BAS 00435119?
The molecular weight of BAS 00435119 is 418.96 g/mol.
Where can I buy BAS 00435119?
You can request a quote for BAS 00435119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435119?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.