Secamine,tetrahydro K176
TL;DR: Secamine,tetrahydro K176 (CAS 38402-49-2) is a chemical compound with molecular formula C42H56N4O4 and molecular weight 680.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 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-6,9-dicarboxylate
Also Known As: Tetrahydrosecamine, SECAMINE,TETRAHYDRO K176, Pyrido(1,2-a)indole-6,9-dicarboxylic 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-, dimethyl ester, dimethyl 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-6,9-dicarboxylate
| Molecular Formula | C42H56N4O4 |
|---|---|
| Molecular Weight | 680.43 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 680.4302 |
| Heavy Atoms | 50 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 38402-49-2 |
|---|---|
| SMILES | CCC1CCCN(C1)CCC2=C(NC3=CC=CC=C32)C4(CCC(C5=C(C6=CC=CC=C6N54)CCN7CCCC(C7)CC)C(=O)OC)C(=O)OC |
| InChIKey | HWBGBIQGALATDY-UHFFFAOYSA-N |
Product Overview
Secamine,tetrahydro K176 (CAS 38402-49-2), with molecular formula C42H56N4O4 and molecular weight 680.43 g/mol. IUPAC: dimethyl 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-6,9-dicarboxylate.
Chemical Property Profile of Secamine,tetrahydro K176
Property Insights of Secamine,tetrahydro K176
The XLogP value of 7.9 indicates that Secamine,tetrahydro K176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Secamine,tetrahydro K176. Following Lipinski's Rule of Five, Secamine,tetrahydro K176 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Secamine,tetrahydro K176?
The CAS number of Secamine,tetrahydro K176 is 38402-49-2.
What is the molecular formula of Secamine,tetrahydro K176?
The molecular formula of Secamine,tetrahydro K176 is C42H56N4O4.
What is the molecular weight of Secamine,tetrahydro K176?
The molecular weight of Secamine,tetrahydro K176 is 680.43 g/mol.
Where can I buy Secamine,tetrahydro K176?
You can request a quote for Secamine,tetrahydro K176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secamine,tetrahydro K176?
Yes, KEHONG BIO provides custom synthesis services for Secamine,tetrahydro K176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.