Tetrahydrosecaminediol
TL;DR: Tetrahydrosecaminediol (CAS 80998-12-5) is a chemical compound with molecular formula C40H56N4O2 and molecular weight 624.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-6-(hydroxymethyl)-8,9-dihydro-7H-pyrido[1,2-a]indol-9-yl]methanol
Also Known As: Tetrahydrosecaminediol, SECAMINEDIOL,TETRAHYDRO K206, (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-6,9-diyl)dimethanol, [10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-6-(hydroxymethyl)-8,9-dihydro-7H-pyrido[1,2-a]indol-9-yl]methanol, RefChem:188707
| Molecular Formula | C40H56N4O2 |
|---|---|
| Molecular Weight | 624.44 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 624.4403 |
| Heavy Atoms | 46 |
| Complexity | 966.0 |
Chemical Identifiers
| CAS Number | 80998-12-5 |
|---|---|
| SMILES | CCC1CCCN(C1)CCC2=C(NC3=CC=CC=C32)C4(CCC(C5=C(C6=CC=CC=C6N54)CCN7CCCC(C7)CC)CO)CO |
| InChIKey | JUIDNHMRFHXGSO-UHFFFAOYSA-N |
Product Overview
Tetrahydrosecaminediol (CAS 80998-12-5), with molecular formula C40H56N4O2 and molecular weight 624.44 g/mol. IUPAC: [10-[2-(3-ethylpiperidin-1-yl)ethyl]-6-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-6-(hydroxymethyl)-8,9-dihydro-7H-pyrido[1,2-a]indol-9-yl]methanol.
Chemical Property Profile of Tetrahydrosecaminediol
Property Insights of Tetrahydrosecaminediol
The XLogP value of 6.7 indicates that Tetrahydrosecaminediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydrosecaminediol. Following Lipinski's Rule of Five, Tetrahydrosecaminediol has 3 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 Tetrahydrosecaminediol?
The CAS number of Tetrahydrosecaminediol is 80998-12-5.
What is the molecular formula of Tetrahydrosecaminediol?
The molecular formula of Tetrahydrosecaminediol is C40H56N4O2.
What is the molecular weight of Tetrahydrosecaminediol?
The molecular weight of Tetrahydrosecaminediol is 624.44 g/mol.
Where can I buy Tetrahydrosecaminediol?
You can request a quote for Tetrahydrosecaminediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrosecaminediol?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrosecaminediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.