2,2-Dimethyl-1,3-oxathiane
TL;DR: 2,2-Dimethyl-1,3-oxathiane (CAS 324774-78-9) is a chemical compound with molecular formula C30H28N4O4 and molecular weight 508.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[4-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]phenyl]prop-2-enoate
Also Known As: 2,2-Dimethyl-1,3-oxathiane, BIM-0034221.P001, ethyl (E)-2-cyano-3-[4-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]phenyl]prop-2-enoate, ethyl (2Z)-2-cyano-3-{4-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]phenyl}prop-2-enoate, Ethyl (2E)-2-cyano-3-(4-{4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazin-1-yl}phenyl)prop-2-enoate
| Molecular Formula | C30H28N4O4 |
|---|---|
| Molecular Weight | 508.21 g/mol |
| LogP | 3.72808 |
| Topological Polar Surface Area | 93.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.21106 |
| Heavy Atoms | 38 |
| Complexity | 1413.0963 |
Chemical Identifiers
| CAS Number | 324774-78-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(C=C1)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)/C#N |
Product Overview
2,2-Dimethyl-1,3-oxathiane (CAS 324774-78-9), with molecular formula C30H28N4O4 and molecular weight 508.21 g/mol. IUPAC: ethyl (E)-2-cyano-3-[4-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]phenyl]prop-2-enoate.
Chemical Property Profile of 2,2-Dimethyl-1,3-oxathiane
Property Insights of 2,2-Dimethyl-1,3-oxathiane
The XLogP value of 3.72808 indicates that 2,2-Dimethyl-1,3-oxathiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-1,3-oxathiane. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3-oxathiane has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Dimethyl-1,3-oxathiane?
The CAS number of 2,2-Dimethyl-1,3-oxathiane is 324774-78-9.
What is the molecular formula of 2,2-Dimethyl-1,3-oxathiane?
The molecular formula of 2,2-Dimethyl-1,3-oxathiane is C30H28N4O4.
What is the molecular weight of 2,2-Dimethyl-1,3-oxathiane?
The molecular weight of 2,2-Dimethyl-1,3-oxathiane is 508.21 g/mol.
Where can I buy 2,2-Dimethyl-1,3-oxathiane?
You can request a quote for 2,2-Dimethyl-1,3-oxathiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1,3-oxathiane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1,3-oxathiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.