TimTec1_000192
TL;DR: TimTec1_000192 (CAS 16408-63-2) is a chemical compound with molecular formula C15H15N3O6 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 1,2,3-tricyanocyclopropane-1,2,3-tricarboxylate
Also Known As: TimTec1_000192, triethyl 1,2,3-tricyanocyclopropane-1,2,3-tricarboxylate, ethyl 2,3-bis(ethoxycarbonyl)-1,2,3-tricyanocyclopropanecarboxylate, Triethyl 1,2,3-tricarbonitrile-1,2,3-tricarboxylate, 1,2,3-Tricyan-cyclopropan-1,2,3-tricarbonsaeure-triethylester
| Molecular Formula | C15H15N3O6 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 333.0961 |
| Heavy Atoms | 24 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 16408-63-2 |
|---|---|
| SMILES | CCOC(=O)C1(C(C1(C#N)C(=O)OCC)(C#N)C(=O)OCC)C#N |
| InChIKey | YJSOMJXCBUTVQA-UHFFFAOYSA-N |
Product Overview
TimTec1_000192 (CAS 16408-63-2), with molecular formula C15H15N3O6 and molecular weight 333.10 g/mol. IUPAC: triethyl 1,2,3-tricyanocyclopropane-1,2,3-tricarboxylate.
Chemical Property Profile of TimTec1_000192
Property Insights of TimTec1_000192
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_000192. The TPSA of 150.0 Ų indicates high polarity, suggesting TimTec1_000192 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TimTec1_000192 has 0 hydrogen bond donor(s) and 9 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 TimTec1_000192?
The CAS number of TimTec1_000192 is 16408-63-2.
What is the molecular formula of TimTec1_000192?
The molecular formula of TimTec1_000192 is C15H15N3O6.
What is the molecular weight of TimTec1_000192?
The molecular weight of TimTec1_000192 is 333.10 g/mol.
Where can I buy TimTec1_000192?
You can request a quote for TimTec1_000192 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000192?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000192 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.