BAS 00924431
TL;DR: BAS 00924431 (CAS 333764-53-7) is a chemical compound with molecular formula C20H17BrClF3N4O and molecular weight 500.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: BAS 00924431, 2-(1-azepanylcarbonyl)-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, azepan-1-yl-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone, 1-AZEPANYL[5-(4-BROMOPHENYL)-3-CHLORO-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-2-YL]METHANONE
| Molecular Formula | C20H17BrClF3N4O |
|---|---|
| Molecular Weight | 500.02 g/mol |
| LogP | 5.8472 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 500.02264 |
| Heavy Atoms | 30 |
| Complexity | 1090.11 |
Chemical Identifiers
| CAS Number | 333764-53-7 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)Br)C(F)(F)F |
Product Overview
BAS 00924431 (CAS 333764-53-7), with molecular formula C20H17BrClF3N4O and molecular weight 500.02 g/mol. IUPAC: azepan-1-yl-[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of BAS 00924431
Property Insights of BAS 00924431
The XLogP value of 5.8472 indicates that BAS 00924431 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, BAS 00924431 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00924431 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00924431?
The CAS number of BAS 00924431 is 333764-53-7.
What is the molecular formula of BAS 00924431?
The molecular formula of BAS 00924431 is C20H17BrClF3N4O.
What is the molecular weight of BAS 00924431?
The molecular weight of BAS 00924431 is 500.02 g/mol.
Where can I buy BAS 00924431?
You can request a quote for BAS 00924431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00924431?
Yes, KEHONG BIO provides custom synthesis services for BAS 00924431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.