KST-1B3876
TL;DR: KST-1B3876 (CAS 392-47-2) is a chemical compound with molecular formula C19H40I2N2O2 and molecular weight 582.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2,4,4-tetramethylpentanoate diiodide
Also Known As: KST-1B3876, 3-(4-Methyl-1-piperazinyl)propyl 2,2,4,4-tetramethylvalerate dimethiodide, 1,1,4-trimethyl-4-{3-[(2,2,4,4-tetramethylpentanoyl)oxy]propyl}piperazinediium diiodide, 1-(3-(2,2,4,4-Tetramethylvaleryloxy)propyl)-1,4,4-trimethylpiperazinium diiodide, Piperazinium, 1-(3-(2,2,4,4-tetramethylvaleryloxy)propyl)-1,4,4-trimethyl-, diiodide
| Molecular Formula | C19H40I2N2O2 |
|---|---|
| Molecular Weight | 582.12 g/mol |
| LogP | -3.0733 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.1179 |
| Heavy Atoms | 25 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 392-47-2 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C(=O)OCCC[N+]1(CC[N+](CC1)(C)C)C.[I-].[I-] |
| InChIKey | VZBQNJNRCFETAH-UHFFFAOYSA-L |
Product Overview
KST-1B3876 (CAS 392-47-2), with molecular formula C19H40I2N2O2 and molecular weight 582.12 g/mol. IUPAC: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2,4,4-tetramethylpentanoate diiodide.
Chemical Property Profile of KST-1B3876
Property Insights of KST-1B3876
The XLogP value of -3.0733 indicates that KST-1B3876 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, KST-1B3876 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1B3876 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B3876?
The CAS number of KST-1B3876 is 392-47-2.
What is the molecular formula of KST-1B3876?
The molecular formula of KST-1B3876 is C19H40I2N2O2.
What is the molecular weight of KST-1B3876?
The molecular weight of KST-1B3876 is 582.12 g/mol.
Where can I buy KST-1B3876?
You can request a quote for KST-1B3876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3876?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.