1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione
TL;DR: 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione (CAS 452316-77-7) is a chemical compound with molecular formula C17H23N3OS and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4,4,6-trimethyl-1,3-diazinane-2-thione
Also Known As: 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione, 3-[2-(1H-indol-3-yl)ethyl]-4,6,6-trimethyl-2-sulfanyl-3,4,5,6-tetrahydropyrimidin-4-ol, 6-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4,4,6-trimethyl-1,3-diazinane-2-thione, tetrahydro-6-hydroxy-1-[2-(1h-indole-3-yl)ethyl]-4,4,6-trimethyl-1h-pyrimidin-2-thione
| Molecular Formula | C17H23N3OS |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 2.7777 |
| Topological Polar Surface Area | 51.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.1562 |
| Heavy Atoms | 22 |
| Complexity | 704.7469 |
Chemical Identifiers
| CAS Number | 452316-77-7 |
|---|---|
| SMILES | CC1(CC(N(C(=S)N1)CCC2=CNC3=CC=CC=C32)(C)O)C |
Product Overview
1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione (CAS 452316-77-7), with molecular formula C17H23N3OS and molecular weight 317.16 g/mol. IUPAC: 6-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-4,4,6-trimethyl-1,3-diazinane-2-thione.
Chemical Property Profile of 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione
Property Insights of 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione
The XLogP value of 2.7777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione. With a topological polar surface area (TPSA) of 51.29 Ų, 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione?
The CAS number of 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione is 452316-77-7.
What is the molecular formula of 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione?
The molecular formula of 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione is C17H23N3OS.
What is the molecular weight of 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione?
The molecular weight of 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione is 317.16 g/mol.
Where can I buy 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione?
You can request a quote for 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(1H-indol-3-yl)ethyl)-6-hydroxy-4,4,6-trimethyltetrahydropyrimidine-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.