![But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol structure](/static/products/7760/77602-69-8.webp)
But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol
TL;DR: But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol (CAS 77602-69-8) is a chemical compound with molecular formula C22H22ClNO5S and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol
Also Known As: (E)-3-Hydroxychlorprothixene hydrogen maleate, 9H-Thioxanthen-3-ol, 2-chloro-9-(3-(dimethylamino)propylidene)-, (E)-, (Z)-2-butenedioate (1:1), (E)-2-Chloro-3-hydroxy-9-(3-dimethylaminopropylidene)thioxanthene hydrogen maleate
| Molecular Formula | C22H22ClNO5S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 4.6054 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.09073 |
| Heavy Atoms | 30 |
| Complexity | 985.0176 |
Chemical Identifiers
| CAS Number | 77602-69-8 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2SC3=CC(=C(C=C31)Cl)O.C(=CC(=O)O)C(=O)O |
Product Overview
But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol (CAS 77602-69-8), with molecular formula C22H22ClNO5S and molecular weight 447.09 g/mol. IUPAC: but-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol.
Chemical Property Profile of But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol
Property Insights of But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol
The XLogP value of 4.6054 indicates that But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol. Following Lipinski's Rule of Five, But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol has 3 hydrogen bond donor(s) and 5 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 But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol?
The CAS number of But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol is 77602-69-8.
What is the molecular formula of But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol?
The molecular formula of But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol is C22H22ClNO5S.
What is the molecular weight of But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol?
The molecular weight of But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol is 447.09 g/mol.
Where can I buy But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol?
You can request a quote for But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.