1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone
TL;DR: 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone (CAS 50536-91-9) is a chemical compound with molecular formula C23H28N2OS and molecular weight 380.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(diethylamino)ethylamino]-1,2,3,4-tetrahydrobenzo[c]thioxanthen-7-one
Also Known As: 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone, 3H-Benz[e]indole-2-carboxylic acid, 6-[2-(diethylamino)ethylamino]-1,2,3,4-tetrahydrobenzo[c]thioxanthen-7-one, 1-(beta-Diethylaminoethylamino)-3,4-cyclohexanothioxanthone, 6-[2-(diethylamino)ethylamino]-1,2,3,4-tetrahydrobenzo[c]thi
| Molecular Formula | C23H28N2OS |
|---|---|
| Molecular Weight | 380.19 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.19223 |
| Heavy Atoms | 27 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 50536-91-9 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C3CCCCC3=C1)SC4=CC=CC=C4C2=O |
| InChIKey | OHCMWWBDOMYNOH-UHFFFAOYSA-N |
Product Overview
1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone (CAS 50536-91-9), with molecular formula C23H28N2OS and molecular weight 380.19 g/mol. IUPAC: 6-[2-(diethylamino)ethylamino]-1,2,3,4-tetrahydrobenzo[c]thioxanthen-7-one.
Chemical Property Profile of 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone
Property Insights of 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone
The XLogP value of 6.2 indicates that 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone has 1 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 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone?
The CAS number of 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone is 50536-91-9.
What is the molecular formula of 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone?
The molecular formula of 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone is C23H28N2OS.
What is the molecular weight of 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone?
The molecular weight of 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone is 380.19 g/mol.
Where can I buy 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone?
You can request a quote for 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone?
Yes, KEHONG BIO provides custom synthesis services for 1-(beta-Diethylaminoethylamino)-3,4-cyclohexenothiaxanthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.