3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1)
TL;DR: 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1) (CAS 68198-79-8) is a chemical compound with molecular formula C17H34N2O5SSi and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-diisocyanato-2,2,4-trimethylhexane;3-trimethoxysilylpropane-1-thiol
Also Known As: (C11-H18-N2-O2.C6-H16-O3-S-Si)x-, gamma-Mercaptopropyltrimethoxysilane, 2,2,4(or 2,4,4)-trimethylhexamethylene diisocyanate, 1,6-diisocyanato-2,2,4-trimethylhexane; 3-trimethoxysilylpropane-1-thiol, 1-Propanethiol, 3-(trimethoxysilyl)-, polymer with 1,6-diisocyanato-2,2,4(or 2,4,4)-trimethylhexane, 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1)
| Molecular Formula | C17H34N2O5SSi |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 3.2849 |
| Topological Polar Surface Area | 86.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 406.19577 |
| Heavy Atoms | 26 |
| Complexity | 440.16953 |
Chemical Identifiers
| CAS Number | 68198-79-8 |
|---|---|
| SMILES | CC(CCN=C=O)CC(C)(C)CN=C=O.CO[Si](CCCS)(OC)OC |
Product Overview
3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1) (CAS 68198-79-8), with molecular formula C17H34N2O5SSi and molecular weight 406.20 g/mol. IUPAC: 1,6-diisocyanato-2,2,4-trimethylhexane;3-trimethoxysilylpropane-1-thiol.
Chemical Property Profile of 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1)
Property Insights of 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1)
The XLogP value of 3.2849 indicates that 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1). Following Lipinski's Rule of Five, 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1) has 1 hydrogen bond donor(s) and 8 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 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1)?
The CAS number of 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1) is 68198-79-8.
What is the molecular formula of 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1)?
The molecular formula of 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1) is C17H34N2O5SSi.
What is the molecular weight of 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1)?
The molecular weight of 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1) is 406.20 g/mol.
Where can I buy 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1)?
You can request a quote for 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trimethoxysilyl)propane-1-thiol--1,6-diisocyanato-2,2,4-trimethylhexane (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.