BAS 00414955
TL;DR: BAS 00414955 (CAS 5677-10-1) is a chemical compound with molecular formula C18H14ClF3N4O and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone
Also Known As: BAS 00414955, [3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](pyrrolidin-1-yl)methanone, [3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone, 3-chloro-5-phenyl-2-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 3-chloro-5-phenyl-2-(pyrrolidin-1-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
| Molecular Formula | C18H14ClF3N4O |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 4.3045 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.0808 |
| Heavy Atoms | 27 |
| Complexity | 1010.8589 |
Chemical Identifiers
| CAS Number | 5677-10-1 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CC=C4)C(F)(F)F |
Product Overview
BAS 00414955 (CAS 5677-10-1), with molecular formula C18H14ClF3N4O and molecular weight 394.08 g/mol. IUPAC: [3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-pyrrolidin-1-ylmethanone.
Chemical Property Profile of BAS 00414955
Property Insights of BAS 00414955
The XLogP value of 4.3045 indicates that BAS 00414955 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 00414955 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00414955 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 BAS 00414955?
The CAS number of BAS 00414955 is 5677-10-1.
What is the molecular formula of BAS 00414955?
The molecular formula of BAS 00414955 is C18H14ClF3N4O.
What is the molecular weight of BAS 00414955?
The molecular weight of BAS 00414955 is 394.08 g/mol.
Where can I buy BAS 00414955?
You can request a quote for BAS 00414955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00414955?
Yes, KEHONG BIO provides custom synthesis services for BAS 00414955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.