6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one
TL;DR: 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one (CAS 6970-32-7) is a chemical compound with molecular formula C19H20ClN3O3S and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1-[2-(diethylamino)ethylamino]-4-nitrothioxanthen-9-one
Also Known As: 6-chloro-1-(2-diethylaminoethylamino)-4-nitrothioxanthen-9-one, 6-chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one, 6-Chloro-1-{[2-(diethylamino)ethyl]amino}-4-nitro-9H-thioxanthen-9-one
| Molecular Formula | C19H20ClN3O3S |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.0914 |
| Heavy Atoms | 27 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 6970-32-7 |
|---|---|
| SMILES | CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=CC(=C3)Cl |
| InChIKey | ZBZZLMYWFHWFNA-UHFFFAOYSA-N |
Product Overview
6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one (CAS 6970-32-7), with molecular formula C19H20ClN3O3S and molecular weight 405.09 g/mol. IUPAC: 6-chloro-1-[2-(diethylamino)ethylamino]-4-nitrothioxanthen-9-one.
Chemical Property Profile of 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one
Property Insights of 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one
The XLogP value of 5.3 indicates that 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one. Following Lipinski's Rule of Five, 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one?
The CAS number of 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one is 6970-32-7.
What is the molecular formula of 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one?
The molecular formula of 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one is C19H20ClN3O3S.
What is the molecular weight of 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one?
The molecular weight of 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one is 405.09 g/mol.
Where can I buy 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one?
You can request a quote for 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-1-(2-diethylaminoethylamino)-4-nitro-thioxanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.