N-beta-Ethyl-piperidine raubasinate dihydrochloride
TL;DR: N-beta-Ethyl-piperidine raubasinate dihydrochloride (CAS 56435-58-6) is a chemical compound with molecular formula C27H37Cl2N3O3 and molecular weight 521.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylethyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;dihydrochloride
Also Known As: N-beta-Ethyl-piperidine raubasinate dihydrochloride, Chlorhydrate de raubasinate de N-beta-ethylpiperidine [French], Chlorhydrate de raubasinate de N-beta-ethylpiperidine, Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(1-piperidinyl)ethyl ester, dihydrochloride, (19-alpha)-, 2-(Piperidin-1-yl)ethyl 19alpha-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate--hydrogen chloride (1/2)
| Molecular Formula | C27H37Cl2N3O3 |
|---|---|
| Molecular Weight | 521.22 g/mol |
| LogP | 4.8785 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 521.2212 |
| Heavy Atoms | 35 |
| Complexity | 1065.1188 |
Chemical Identifiers
| CAS Number | 56435-58-6 |
|---|---|
| SMILES | C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OCCN5CCCCC5)NC6=CC=CC=C46.Cl.Cl |
Product Overview
N-beta-Ethyl-piperidine raubasinate dihydrochloride (CAS 56435-58-6), with molecular formula C27H37Cl2N3O3 and molecular weight 521.22 g/mol. IUPAC: 2-piperidin-1-ylethyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;dihydrochloride.
Chemical Property Profile of N-beta-Ethyl-piperidine raubasinate dihydrochloride
Property Insights of N-beta-Ethyl-piperidine raubasinate dihydrochloride
The XLogP value of 4.8785 indicates that N-beta-Ethyl-piperidine raubasinate dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, N-beta-Ethyl-piperidine raubasinate dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-beta-Ethyl-piperidine raubasinate dihydrochloride 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 N-beta-Ethyl-piperidine raubasinate dihydrochloride?
The CAS number of N-beta-Ethyl-piperidine raubasinate dihydrochloride is 56435-58-6.
What is the molecular formula of N-beta-Ethyl-piperidine raubasinate dihydrochloride?
The molecular formula of N-beta-Ethyl-piperidine raubasinate dihydrochloride is C27H37Cl2N3O3.
What is the molecular weight of N-beta-Ethyl-piperidine raubasinate dihydrochloride?
The molecular weight of N-beta-Ethyl-piperidine raubasinate dihydrochloride is 521.22 g/mol.
Where can I buy N-beta-Ethyl-piperidine raubasinate dihydrochloride?
You can request a quote for N-beta-Ethyl-piperidine raubasinate dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-beta-Ethyl-piperidine raubasinate dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-beta-Ethyl-piperidine raubasinate dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.