Lanepitant dihydrochloride trihydrate
TL;DR: Lanepitant dihydrochloride trihydrate (CAS 167678-33-3) is a chemical compound with molecular formula C33H53Cl2N5O6 and molecular weight 685.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;trihydrate;dihydrochloride
Also Known As: Lanepitant HCl trihydrate, Lanepitant dihydrochloride trihydrate, (1,4'-Bipiperidine)-1'-acetamide, N-((1R)-2-(acetyl((2-methoxyphenyl)methyl)amino)-1-(1H-indol-3-ylmethyl)ethyl)-, dihydrochloride, trihydrate, (R)-N-(1-(1H-indol-3-yl)-3-(N-(2-methoxybenzyl)acetamido)propan-2-yl)-2-([1,4'-bipiperidin]-1'-yl)acetamide dihydrochloride trihydrate, N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;trihydrate;dihydrochloride
| Molecular Formula | C33H53Cl2N5O6 |
|---|---|
| Molecular Weight | 685.34 g/mol |
| LogP | 2.5723 |
| Topological Polar Surface Area | 175.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 685.3373 |
| Heavy Atoms | 46 |
| Complexity | 1314.4396 |
Chemical Identifiers
| CAS Number | 167678-33-3 |
|---|---|
| SMILES | CC(=O)N(CC1=CC=CC=C1OC)C[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)CN4CCC(CC4)N5CCCCC5.O.O.O.Cl.Cl |
Product Overview
Lanepitant dihydrochloride trihydrate (CAS 167678-33-3), with molecular formula C33H53Cl2N5O6 and molecular weight 685.34 g/mol. IUPAC: N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;trihydrate;dihydrochloride.
Chemical Property Profile of Lanepitant dihydrochloride trihydrate
Property Insights of Lanepitant dihydrochloride trihydrate
The XLogP value of 2.5723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lanepitant dihydrochloride trihydrate. The TPSA of 175.41 Ų indicates high polarity, suggesting Lanepitant dihydrochloride trihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lanepitant dihydrochloride trihydrate has 2 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 Lanepitant dihydrochloride trihydrate?
The CAS number of Lanepitant dihydrochloride trihydrate is 167678-33-3.
What is the molecular formula of Lanepitant dihydrochloride trihydrate?
The molecular formula of Lanepitant dihydrochloride trihydrate is C33H53Cl2N5O6.
What is the molecular weight of Lanepitant dihydrochloride trihydrate?
The molecular weight of Lanepitant dihydrochloride trihydrate is 685.34 g/mol.
Where can I buy Lanepitant dihydrochloride trihydrate?
You can request a quote for Lanepitant dihydrochloride trihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lanepitant dihydrochloride trihydrate?
Yes, KEHONG BIO provides custom synthesis services for Lanepitant dihydrochloride trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.