AB00098376-01
TL;DR: AB00098376-01 (CAS 5821-74-9) is a chemical compound with molecular formula C19H16ClF3N4O and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
Also Known As: AB00098376-01, [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone, 3-chloro-5-(4-methylphenyl)-2-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
| Molecular Formula | C19H16ClF3N4O |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 4.61292 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.09647 |
| Heavy Atoms | 28 |
| Complexity | 1053.7114 |
Chemical Identifiers
| CAS Number | 5821-74-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)N4CCCC4)Cl |
Product Overview
AB00098376-01 (CAS 5821-74-9), with molecular formula C19H16ClF3N4O and molecular weight 408.10 g/mol. IUPAC: [3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone.
Chemical Property Profile of AB00098376-01
Property Insights of AB00098376-01
The XLogP value of 4.61292 indicates that AB00098376-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, AB00098376-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00098376-01 has 0 hydrogen bond donor(s) and 3 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 AB00098376-01?
The CAS number of AB00098376-01 is 5821-74-9.
What is the molecular formula of AB00098376-01?
The molecular formula of AB00098376-01 is C19H16ClF3N4O.
What is the molecular weight of AB00098376-01?
The molecular weight of AB00098376-01 is 408.10 g/mol.
Where can I buy AB00098376-01?
You can request a quote for AB00098376-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098376-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098376-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.