16-Demethoxycarbonyltetrahydrosecamine
TL;DR: 16-Demethoxycarbonyltetrahydrosecamine (CAS 88607-50-5) is a chemical compound with molecular formula C40H54N4O2 and molecular weight 622.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-8,9-dihydro-7H-pyrido[1,2-a]indole-6-carboxylate
Also Known As: 16-Demethoxycarbonyltetrahydrosecamine, methyl 10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-8,9-dihydro-7H-pyrido[1,2-a]indole-6-carboxylate, Methyl 10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-{3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl}-6,7,8,9-tetrahydropyrido[1,2-a]indole-6-carboxylate, Pyrido(1,2-a)indole-6-carboxylic acid, 10-(2-(3-ethyl-1-piperidinyl)ethyl)-6-(3-(2-(3-ethyl-1-piperidinyl)ethyl)-1H-indol-2-yl)-6,7,8,9-tetrahydro-, methyl ester
| Molecular Formula | C40H54N4O2 |
|---|---|
| Molecular Weight | 622.42 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 622.4247 |
| Heavy Atoms | 46 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 88607-50-5 |
|---|---|
| SMILES | CCC1CCCN(C1)CCC2=C3CCCC(N3C4=CC=CC=C42)(C5=C(C6=CC=CC=C6N5)CCN7CCCC(C7)CC)C(=O)OC |
| InChIKey | BUISMSVVWUALDB-UHFFFAOYSA-N |
Product Overview
16-Demethoxycarbonyltetrahydrosecamine (CAS 88607-50-5), with molecular formula C40H54N4O2 and molecular weight 622.42 g/mol. IUPAC: methyl 10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-8,9-dihydro-7H-pyrido[1,2-a]indole-6-carboxylate.
Chemical Property Profile of 16-Demethoxycarbonyltetrahydrosecamine
Property Insights of 16-Demethoxycarbonyltetrahydrosecamine
The XLogP value of 8.4 indicates that 16-Demethoxycarbonyltetrahydrosecamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.5 Ų, 16-Demethoxycarbonyltetrahydrosecamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Demethoxycarbonyltetrahydrosecamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16-Demethoxycarbonyltetrahydrosecamine?
The CAS number of 16-Demethoxycarbonyltetrahydrosecamine is 88607-50-5.
What is the molecular formula of 16-Demethoxycarbonyltetrahydrosecamine?
The molecular formula of 16-Demethoxycarbonyltetrahydrosecamine is C40H54N4O2.
What is the molecular weight of 16-Demethoxycarbonyltetrahydrosecamine?
The molecular weight of 16-Demethoxycarbonyltetrahydrosecamine is 622.42 g/mol.
Where can I buy 16-Demethoxycarbonyltetrahydrosecamine?
You can request a quote for 16-Demethoxycarbonyltetrahydrosecamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Demethoxycarbonyltetrahydrosecamine?
Yes, KEHONG BIO provides custom synthesis services for 16-Demethoxycarbonyltetrahydrosecamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.