Butalbital, 2TMS derivative
TL;DR: Butalbital, 2TMS derivative (CAS 52937-70-9) is a chemical compound with molecular formula C17H32N2O3Si2 and molecular weight 368.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropyl)-5-prop-2-enyl-1,3-bis(trimethylsilyl)-1,3-diazinane-2,4,6-trione
Also Known As: Butalbital, 2TMS derivative, 5-(2-methylpropyl)-5-prop-2-enyl-1,3-bis(trimethylsilyl)-1,3-diazinane-2,4,6-trione, 5-(2-Methylpropyl)-5-(2-propenyl)-1,3-bis(trimethylsilyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(2-methylpropyl)-5-(prop-2-en-1-yl)-1,3-bis(trimethylsilyl)-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-5-(2-propenyl)-1,3-bis(trimethylsilyl)-
| Molecular Formula | C17H32N2O3Si2 |
|---|---|
| Molecular Weight | 368.20 g/mol |
| LogP | 4.0556 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.19516 |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 52937-70-9 |
|---|---|
| SMILES | CC(C)CC1(C(=O)N(C(=O)N(C1=O)[Si](C)(C)C)[Si](C)(C)C)CC=C |
| InChIKey | FCSOKCNDOOWRJV-UHFFFAOYSA-N |
Product Overview
Butalbital, 2TMS derivative (CAS 52937-70-9), with molecular formula C17H32N2O3Si2 and molecular weight 368.20 g/mol. IUPAC: 5-(2-methylpropyl)-5-prop-2-enyl-1,3-bis(trimethylsilyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Butalbital, 2TMS derivative
Property Insights of Butalbital, 2TMS derivative
The XLogP value of 4.0556 indicates that Butalbital, 2TMS derivative is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Butalbital, 2TMS derivative exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butalbital, 2TMS derivative has 0 hydrogen bond donor(s) and 3 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 Butalbital, 2TMS derivative?
The CAS number of Butalbital, 2TMS derivative is 52937-70-9.
What is the molecular formula of Butalbital, 2TMS derivative?
The molecular formula of Butalbital, 2TMS derivative is C17H32N2O3Si2.
What is the molecular weight of Butalbital, 2TMS derivative?
The molecular weight of Butalbital, 2TMS derivative is 368.20 g/mol.
Where can I buy Butalbital, 2TMS derivative?
You can request a quote for Butalbital, 2TMS derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butalbital, 2TMS derivative?
Yes, KEHONG BIO provides custom synthesis services for Butalbital, 2TMS derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.