LU 3-001
TL;DR: LU 3-001 (CAS 10565-60-3) is a chemical compound with molecular formula C22H27ClF3NO and molecular weight 413.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: LU 3-001, 1-Phthalanpropylamine, N,N,3,3-tetramethyl-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, 3-{3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-1-yl}-n,n-dimethylpropan-1-amine hydrochloride(1:1), 3-[3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine hydrochloride, 3-{3,3-Dimethyl-1-[4-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-1-yl}-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C22H27ClF3NO |
|---|---|
| Molecular Weight | 413.17 g/mol |
| LogP | 5.98 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.17334 |
| Heavy Atoms | 28 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 10565-60-3 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C3=CC=C(C=C3)C(F)(F)F)C.Cl |
| InChIKey | VZDUQCJRCXCFKK-UHFFFAOYSA-N |
Product Overview
LU 3-001 (CAS 10565-60-3), with molecular formula C22H27ClF3NO and molecular weight 413.17 g/mol. IUPAC: 3-[3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine;hydrochloride.
Chemical Property Profile of LU 3-001
Property Insights of LU 3-001
The XLogP value of 5.98 indicates that LU 3-001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, LU 3-001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 3-001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LU 3-001?
The CAS number of LU 3-001 is 10565-60-3.
What is the molecular formula of LU 3-001?
The molecular formula of LU 3-001 is C22H27ClF3NO.
What is the molecular weight of LU 3-001?
The molecular weight of LU 3-001 is 413.17 g/mol.
Where can I buy LU 3-001?
You can request a quote for LU 3-001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LU 3-001?
Yes, KEHONG BIO provides custom synthesis services for LU 3-001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.