BAS 00481780
TL;DR: BAS 00481780 (CAS 5670-36-0) is a chemical compound with molecular formula C19H18ClF3N4OS and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
Also Known As: BAS 00481780, [3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone, [3-Chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](2,6-dimethylpiperidin-1-yl)methanone, 3-chloro-2-[(2,6-dimethyl-1-piperidinyl)carbonyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
| Molecular Formula | C19H18ClF3N4OS |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 5.5331 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.0842 |
| Heavy Atoms | 29 |
| Complexity | 1053.769 |
Chemical Identifiers
| CAS Number | 5670-36-0 |
|---|---|
| SMILES | CC1CCCC(N1C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CS4)C(F)(F)F)C |
Product Overview
BAS 00481780 (CAS 5670-36-0), with molecular formula C19H18ClF3N4OS and molecular weight 442.08 g/mol. IUPAC: [3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone.
Chemical Property Profile of BAS 00481780
Property Insights of BAS 00481780
The XLogP value of 5.5331 indicates that BAS 00481780 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 00481780 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00481780 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00481780?
The CAS number of BAS 00481780 is 5670-36-0.
What is the molecular formula of BAS 00481780?
The molecular formula of BAS 00481780 is C19H18ClF3N4OS.
What is the molecular weight of BAS 00481780?
The molecular weight of BAS 00481780 is 442.08 g/mol.
Where can I buy BAS 00481780?
You can request a quote for BAS 00481780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00481780?
Yes, KEHONG BIO provides custom synthesis services for BAS 00481780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.