Lu49888 HCl
TL;DR: Lu49888 HCl (CAS 109293-20-1) is a chemical compound with molecular formula C26H36ClN5O3 and molecular weight 501.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3-azidophenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile;hydrochloride
Also Known As: Lu49888 HCl, 109293-20-1 (HCl), Benzeneacetonitrile, alpha-(3-((2-(3-azidophenyl)ethyl)methyl-amino)propyl)-3,4,5-trimethoxy-alpha-(1-methylethyl)-, monohydrochloride, (-)-, 5-((3-Azidophenethyl)(methyl)amino)-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride, 5-[2-(3-azidophenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile;hydrochloride
| Molecular Formula | C26H36ClN5O3 |
|---|---|
| Molecular Weight | 501.25 g/mol |
| LogP | 6.44808 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 501.25067 |
| Heavy Atoms | 35 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 109293-20-1 |
|---|---|
| SMILES | CC(C)C(CCCN(C)CCC1=CC(=CC=C1)N=[N+]=[N-])(C#N)C2=CC(=C(C(=C2)OC)OC)OC.Cl |
| InChIKey | ZUNFHPIYIPQTIE-UHFFFAOYSA-N |
Product Overview
Lu49888 HCl (CAS 109293-20-1), with molecular formula C26H36ClN5O3 and molecular weight 501.25 g/mol. IUPAC: 5-[2-(3-azidophenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile;hydrochloride.
Chemical Property Profile of Lu49888 HCl
Property Insights of Lu49888 HCl
The XLogP value of 6.44808 indicates that Lu49888 HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Lu49888 HCl. Following Lipinski's Rule of Five, Lu49888 HCl has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lu49888 HCl?
The CAS number of Lu49888 HCl is 109293-20-1.
What is the molecular formula of Lu49888 HCl?
The molecular formula of Lu49888 HCl is C26H36ClN5O3.
What is the molecular weight of Lu49888 HCl?
The molecular weight of Lu49888 HCl is 501.25 g/mol.
Where can I buy Lu49888 HCl?
You can request a quote for Lu49888 HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lu49888 HCl?
Yes, KEHONG BIO provides custom synthesis services for Lu49888 HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.