1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate
TL;DR: 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate (CAS 77602-78-9) is a chemical compound with molecular formula C18H19BrClNOS and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-9H-thioxanthen-9-yl)-3-(dimethylamino)propan-1-one;hydrobromide
Also Known As: 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate, 1-Propanone, 1-(2-chloro-9H-thioxanthen-9-yl)-3-(dimethylamino)-, hydrobromide, hydrate, 1-(2-Chloro-9H-thioxanthen-9-yl)-3-(dimethylamino)propan-1-one--hydrogen bromide (1/1), 1-(2-chloro-9H-thioxanthen-9-yl)-3-(dimethylamino)propan-1-one hydrobromide, RefChem:1053929
| Molecular Formula | C18H19BrClNOS |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | 5.0352 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.00592 |
| Heavy Atoms | 23 |
| Complexity | 719.9178 |
Chemical Identifiers
| CAS Number | 77602-78-9 |
|---|---|
| SMILES | CN(C)CCC(=O)C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Br |
Product Overview
1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate (CAS 77602-78-9), with molecular formula C18H19BrClNOS and molecular weight 411.01 g/mol. IUPAC: 1-(2-chloro-9H-thioxanthen-9-yl)-3-(dimethylamino)propan-1-one;hydrobromide.
Chemical Property Profile of 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate
Property Insights of 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate
The XLogP value of 5.0352 indicates that 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate?
The CAS number of 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate is 77602-78-9.
What is the molecular formula of 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate?
The molecular formula of 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate is C18H19BrClNOS.
What is the molecular weight of 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate?
The molecular weight of 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate is 411.01 g/mol.
Where can I buy 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate?
You can request a quote for 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorothioxanthen-9-yl)-3-dimethylaminopropan-1-one hydrobromide monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.