BAS 00535089
TL;DR: BAS 00535089 (CAS 312635-35-1) is a chemical compound with molecular formula C27H16BrF3N4O3 and molecular weight 580.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-bromophenyl)carbamoyl]phenyl] 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
Also Known As: BAS 00535089, 4-[(4-bromoanilino)carbonyl]phenyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate, [4-[(4-bromophenyl)carbamoyl]phenyl] 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate, 4-[N-(4-bromophenyl)carbamoyl]phenyl 5-phenyl-7-(trifluoromethyl)-8-hydropyraz olo[1,5-a]pyrimidine-2-carboxylate
| Molecular Formula | C27H16BrF3N4O3 |
|---|---|
| Molecular Weight | 580.04 g/mol |
| LogP | 6.6491 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 580.03577 |
| Heavy Atoms | 38 |
| Complexity | 1635.3262 |
Chemical Identifiers
| CAS Number | 312635-35-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)OC4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)Br |
Product Overview
BAS 00535089 (CAS 312635-35-1), with molecular formula C27H16BrF3N4O3 and molecular weight 580.04 g/mol. IUPAC: [4-[(4-bromophenyl)carbamoyl]phenyl] 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
Chemical Property Profile of BAS 00535089
Property Insights of BAS 00535089
The XLogP value of 6.6491 indicates that BAS 00535089 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00535089. Following Lipinski's Rule of Five, BAS 00535089 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00535089?
The CAS number of BAS 00535089 is 312635-35-1.
What is the molecular formula of BAS 00535089?
The molecular formula of BAS 00535089 is C27H16BrF3N4O3.
What is the molecular weight of BAS 00535089?
The molecular weight of BAS 00535089 is 580.04 g/mol.
Where can I buy BAS 00535089?
You can request a quote for BAS 00535089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00535089?
Yes, KEHONG BIO provides custom synthesis services for BAS 00535089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.