NCIOpen2_007487
TL;DR: NCIOpen2_007487 (CAS 6945-27-3) is a chemical compound with molecular formula C14H23N2O3+ and molecular weight 267.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(7-methyl-1,3-dioxo-4,5,6,7a-tetrahydro-3aH-4,7-epoxyisoindol-2-yl)ethyl]azanium
Also Known As: NCIOpen2_007487, trimethyl-[2-[methyl(dioxo)[?]yl]ethyl]ammonium, N,N,N-Trimethyl-2-(4-methyl-1,3-dioxooctahydro-2H-4,7-epoxyisoindol-2-yl)ethanaminium
| Molecular Formula | C14H23N2O3+ |
|---|---|
| Molecular Weight | 267.17 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.17087 |
| Heavy Atoms | 19 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 6945-27-3 |
|---|---|
| SMILES | CC12CCC(O1)C3C2C(=O)N(C3=O)CC[N+](C)(C)C |
| InChIKey | HXBYQMUTHCZPDW-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007487 (CAS 6945-27-3), with molecular formula C14H23N2O3+ and molecular weight 267.17 g/mol. IUPAC: trimethyl-[2-(7-methyl-1,3-dioxo-4,5,6,7a-tetrahydro-3aH-4,7-epoxyisoindol-2-yl)ethyl]azanium.
Chemical Property Profile of NCIOpen2_007487
Property Insights of NCIOpen2_007487
The XLogP value of -0.3 indicates that NCIOpen2_007487 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.6 Ų, NCIOpen2_007487 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_007487 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 NCIOpen2_007487?
The CAS number of NCIOpen2_007487 is 6945-27-3.
What is the molecular formula of NCIOpen2_007487?
The molecular formula of NCIOpen2_007487 is C14H23N2O3+.
What is the molecular weight of NCIOpen2_007487?
The molecular weight of NCIOpen2_007487 is 267.17 g/mol.
Where can I buy NCIOpen2_007487?
You can request a quote for NCIOpen2_007487 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007487?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007487 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.