LU 6-041 hydrochloride
TL;DR: LU 6-041 hydrochloride (CAS 29138-42-9) is a chemical compound with molecular formula C21H22ClF6NO and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-[1-phenyl-3,3-bis(trifluoromethyl)-2-benzofuran-1-yl]propan-1-amine;hydrochloride
Also Known As: LU 6-041 hydrochloride, LU6-041hydrochloride, 1-Phthalanpropylamine, 3,3-bis(trifluoromethyl)-N,N-dimethyl-1-phenyl-, hydrochloride, 3,3-Bis(trifluoromethyl)-N,N-dimethyl-1-phenyl-1-phthalanpropylamine hydrochloride, N,N-Dimethyl-1-phenyl-3,3-bis(trifluoromethyl)-1-Phthalanpropylamine Hydrochloride
| Molecular Formula | C21H22ClF6NO |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 6.0439 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.12943 |
| Heavy Atoms | 30 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 29138-42-9 |
|---|---|
| SMILES | CN(C)CCCC1(C2=CC=CC=C2C(O1)(C(F)(F)F)C(F)(F)F)C3=CC=CC=C3.Cl |
| InChIKey | YPXYVICCGRGENS-UHFFFAOYSA-N |
Product Overview
LU 6-041 hydrochloride (CAS 29138-42-9), with molecular formula C21H22ClF6NO and molecular weight 453.13 g/mol. IUPAC: N,N-dimethyl-3-[1-phenyl-3,3-bis(trifluoromethyl)-2-benzofuran-1-yl]propan-1-amine;hydrochloride.
Chemical Property Profile of LU 6-041 hydrochloride
Property Insights of LU 6-041 hydrochloride
The XLogP value of 6.0439 indicates that LU 6-041 hydrochloride 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 6-041 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LU 6-041 hydrochloride has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LU 6-041 hydrochloride?
The CAS number of LU 6-041 hydrochloride is 29138-42-9.
What is the molecular formula of LU 6-041 hydrochloride?
The molecular formula of LU 6-041 hydrochloride is C21H22ClF6NO.
What is the molecular weight of LU 6-041 hydrochloride?
The molecular weight of LU 6-041 hydrochloride is 453.13 g/mol.
Where can I buy LU 6-041 hydrochloride?
You can request a quote for LU 6-041 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LU 6-041 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for LU 6-041 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.