Hexobarbital, TMS derivative
TL;DR: Hexobarbital, TMS derivative (CAS 55649-44-0) is a chemical compound with molecular formula C15H24N2O3Si and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyclohexen-1-yl)-1,5-dimethyl-3-trimethylsilyl-1,3-diazinane-2,4,6-trione
Also Known As: Hexobarbital, TMS derivative, 5-1,5-dimethyl-3-2,4,6 -pyrimidinetrione, 5-(1-Cyclohexen-1-yl)-1,5-dimethyl-3-(trimethylsilyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5- -1,5-dimethyl-3- -2,4,6 -pyrimidinetrione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-3-(trimethylsilyl)-
| Molecular Formula | C15H24N2O3Si |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 2.7486 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.1556 |
| Heavy Atoms | 21 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 55649-44-0 |
|---|---|
| SMILES | CC1(C(=O)N(C(=O)N(C1=O)[Si](C)(C)C)C)C2=CCCCC2 |
| InChIKey | YFYHIYVMXOAETH-UHFFFAOYSA-N |
Product Overview
Hexobarbital, TMS derivative (CAS 55649-44-0), with molecular formula C15H24N2O3Si and molecular weight 308.16 g/mol. IUPAC: 5-(cyclohexen-1-yl)-1,5-dimethyl-3-trimethylsilyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Hexobarbital, TMS derivative
Property Insights of Hexobarbital, TMS derivative
The XLogP value of 2.7486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexobarbital, TMS derivative. With a topological polar surface area (TPSA) of 57.7 Ų, Hexobarbital, TMS derivative exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexobarbital, TMS 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 Hexobarbital, TMS derivative?
The CAS number of Hexobarbital, TMS derivative is 55649-44-0.
What is the molecular formula of Hexobarbital, TMS derivative?
The molecular formula of Hexobarbital, TMS derivative is C15H24N2O3Si.
What is the molecular weight of Hexobarbital, TMS derivative?
The molecular weight of Hexobarbital, TMS derivative is 308.16 g/mol.
Where can I buy Hexobarbital, TMS derivative?
You can request a quote for Hexobarbital, TMS derivative directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexobarbital, TMS derivative?
Yes, KEHONG BIO provides custom synthesis services for Hexobarbital, TMS derivative and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.