US11718589, Compound 11a
TL;DR: US11718589, Compound 11a (CAS 333761-60-7) is a chemical compound with molecular formula C21H21F3N4O2 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: US11718589, Compound 11a, BAS 00923925, 2-(1-azepanylcarbonyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, azepan-1-yl-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone, 1-[5-(4-METHOXYPHENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBONYL]AZEPANE
| Molecular Formula | C21H21F3N4O2 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 4.4399 |
| Topological Polar Surface Area | 59.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.16165 |
| Heavy Atoms | 30 |
| Complexity | 1052.539 |
Chemical Identifiers
| CAS Number | 333761-60-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4CCCCCC4 |
Product Overview
US11718589, Compound 11a (CAS 333761-60-7), with molecular formula C21H21F3N4O2 and molecular weight 418.16 g/mol. IUPAC: azepan-1-yl-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of US11718589, Compound 11a
Property Insights of US11718589, Compound 11a
The XLogP value of 4.4399 indicates that US11718589, Compound 11a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.73 Ų, US11718589, Compound 11a exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, US11718589, Compound 11a 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 US11718589, Compound 11a?
The CAS number of US11718589, Compound 11a is 333761-60-7.
What is the molecular formula of US11718589, Compound 11a?
The molecular formula of US11718589, Compound 11a is C21H21F3N4O2.
What is the molecular weight of US11718589, Compound 11a?
The molecular weight of US11718589, Compound 11a is 418.16 g/mol.
Where can I buy US11718589, Compound 11a?
You can request a quote for US11718589, Compound 11a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for US11718589, Compound 11a?
Yes, KEHONG BIO provides custom synthesis services for US11718589, Compound 11a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.