BAS 00398148
TL;DR: BAS 00398148 (CAS 313245-67-9) is a chemical compound with molecular formula C20H18BrF3N4O2 and molecular weight 482.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
Also Known As: BAS 00398148, BIM-0028094.P001, AB00093186-01, [3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone, 4-[3-bromo-2-(1-piperidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether
| Molecular Formula | C20H18BrF3N4O2 |
|---|---|
| Molecular Weight | 482.06 g/mol |
| LogP | 4.8123 |
| Topological Polar Surface Area | 59.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.05652 |
| Heavy Atoms | 30 |
| Complexity | 1090.11 |
Chemical Identifiers
| CAS Number | 313245-67-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)N4CCCCC4)Br |
Product Overview
BAS 00398148 (CAS 313245-67-9), with molecular formula C20H18BrF3N4O2 and molecular weight 482.06 g/mol. IUPAC: [3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
Chemical Property Profile of BAS 00398148
Property Insights of BAS 00398148
The XLogP value of 4.8123 indicates that BAS 00398148 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.73 Ų, BAS 00398148 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00398148 has 0 hydrogen bond donor(s) and 4 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 00398148?
The CAS number of BAS 00398148 is 313245-67-9.
What is the molecular formula of BAS 00398148?
The molecular formula of BAS 00398148 is C20H18BrF3N4O2.
What is the molecular weight of BAS 00398148?
The molecular weight of BAS 00398148 is 482.06 g/mol.
Where can I buy BAS 00398148?
You can request a quote for BAS 00398148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398148?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.