BRL-16644 free base
TL;DR: BRL-16644 free base (CAS 65512-99-4) is a chemical compound with molecular formula C22H26F3NO2 and molecular weight 393.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamine
Also Known As: BRL-16644 free base, BRL 16644- parent, BRL-16644 free base, (+/-)-, Ethanamine, 2-((3,4-dihydro-2,2-dimethyl-4-(3-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl-, 2-[2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]chroman-7-yl]oxy-N,N-dimethyl-ethanamine
| Molecular Formula | C22H26F3NO2 |
|---|---|
| Molecular Weight | 393.19 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.19156 |
| Heavy Atoms | 28 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 65512-99-4 |
|---|---|
| SMILES | CC1(CC(C2=C(O1)C=C(C=C2)OCCN(C)C)C3=CC(=CC=C3)C(F)(F)F)C |
| InChIKey | JXMMPZKBOUKGPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BRL-16644 free base (CAS 65512-99-4), with molecular formula C22H26F3NO2 and molecular weight 393.19 g/mol. IUPAC: 2-[[2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamine.
Chemical Property Profile of BRL-16644 free base
Property Insights of BRL-16644 free base
The XLogP value of 5.2 indicates that BRL-16644 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, BRL-16644 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRL-16644 free base has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRL-16644 free base?
The CAS number of BRL-16644 free base is 65512-99-4.
What is the molecular formula of BRL-16644 free base?
The molecular formula of BRL-16644 free base is C22H26F3NO2.
What is the molecular weight of BRL-16644 free base?
The molecular weight of BRL-16644 free base is 393.19 g/mol.
Where can I buy BRL-16644 free base?
You can request a quote for BRL-16644 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRL-16644 free base?
Yes, KEHONG BIO provides custom synthesis services for BRL-16644 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.