N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane
TL;DR: N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane (CAS 141816-39-9) is a chemical compound with molecular formula C18H37N3S3 and molecular weight 391.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(8Z)-1,7-bis(2-methyl-2-sulfanylpropyl)-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]-2-methylpropane-2-thiol
Also Known As: Tacn-1,4,7, N,N',N''-Tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane, 1-[(8Z)-1,7-bis(2-methyl-2-sulfanylpropyl)-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]-2-methylpropane-2-thiol, RefChem:160892
| Molecular Formula | C18H37N3S3 |
|---|---|
| Molecular Weight | 391.21 g/mol |
| LogP | 3.5024 |
| Topological Polar Surface Area | 9.72 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.21497 |
| Heavy Atoms | 24 |
| Complexity | 375.20273 |
Chemical Identifiers
| CAS Number | 141816-39-9 |
|---|---|
| SMILES | CC(C)(CN1CCN(/C=C\N(CC1)CC(C)(C)S)CC(C)(C)S)S |
Product Overview
N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane (CAS 141816-39-9), with molecular formula C18H37N3S3 and molecular weight 391.21 g/mol. IUPAC: 1-[(8Z)-1,7-bis(2-methyl-2-sulfanylpropyl)-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]-2-methylpropane-2-thiol.
Chemical Property Profile of N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane
Property Insights of N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane
The XLogP value of 3.5024 indicates that N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.72 Ų, N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane has 3 hydrogen bond donor(s) and 6 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 N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane?
The CAS number of N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane is 141816-39-9.
What is the molecular formula of N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane?
The molecular formula of N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane is C18H37N3S3.
What is the molecular weight of N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane?
The molecular weight of N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane is 391.21 g/mol.
Where can I buy N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane?
You can request a quote for N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane?
Yes, KEHONG BIO provides custom synthesis services for N,N',N''-tris(2-methyl-(2-propanethiol))-1,4,7-triazacyclononane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.