2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol
TL;DR: 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol (CAS 4295-65-2) is a chemical compound with molecular formula C18H20ClNOS and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-9-[3-(dimethylamino)propyl]thioxanthen-9-ol
Also Known As: Chlorprothixene EP Impurity A, 2-Chloro-9-(3-(dimethylamino)propyl)-thioxanthen-9-ol, 2-chloro-9-[3-(dimethylamino)propyl]thioxanthen-9-ol, 2-CHLORO-9-[3-(DIMETHYLAMINO)PROPYL]-9H-THIOXANTHEN-9-OL, 2-CHLORO-9-(3- -TH&
| Molecular Formula | C18H20ClNOS |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0954 |
| Heavy Atoms | 22 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 4295-65-2 |
|---|---|
| SMILES | CN(C)CCCC1(C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)O |
| InChIKey | YJINNJOMTOJZBH-UHFFFAOYSA-N |
Product Overview
2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol (CAS 4295-65-2), with molecular formula C18H20ClNOS and molecular weight 333.10 g/mol. IUPAC: 2-chloro-9-[3-(dimethylamino)propyl]thioxanthen-9-ol.
Chemical Property Profile of 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol
Property Insights of 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol
The XLogP value of 4.1 indicates that 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.8 Ų, 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol has 1 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 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol?
The CAS number of 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol is 4295-65-2.
What is the molecular formula of 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol?
The molecular formula of 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol is C18H20ClNOS.
What is the molecular weight of 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol?
The molecular weight of 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol is 333.10 g/mol.
Where can I buy 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol?
You can request a quote for 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.