![But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol structure](/static/products/7760/77602-77-8.webp)
But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol
TL;DR: But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol (CAS 77602-77-8) 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;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol
Also Known As: (E)-2-Chloro-7-hydroxy-9-(3-dimethylaminopropylidene)thioxanthene maleate, (E)-7-Chloro-9-(3-(dimethylamino)propylidene)-9H-thioxanthen-2-ol maleate, (E)-7-CHLORO-9-(3-(DIMETHYLAMINO)PROPYLIDENE)-9H-THIOXANTHEN-2-OL (Z)-2-BUTENEDIOATE, 9H-Thioxanthen-2-ol, 7-chloro-9-(3-(dimethylamino)propylidene)-, (E)-, (Z)-2-butenedioate (1:1) (salt)
| 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 | 931.5176 |
Chemical Identifiers
| CAS Number | 77602-77-8 |
|---|---|
| SMILES | CN(C)CCC=C1C2=C(C=CC(=C2)O)SC3=C1C=C(C=C3)Cl.C(=CC(=O)O)C(=O)O |
Product Overview
But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol (CAS 77602-77-8), with molecular formula C22H22ClNO5S and molecular weight 447.09 g/mol. IUPAC: but-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol.
Chemical Property Profile of But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol
Property Insights of But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol
The XLogP value of 4.6054 indicates that But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-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;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol. Following Lipinski's Rule of Five, But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-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;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol?
The CAS number of But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol is 77602-77-8.
What is the molecular formula of But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol?
The molecular formula of But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol is C22H22ClNO5S.
What is the molecular weight of But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol?
The molecular weight of But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol is 447.09 g/mol.
Where can I buy But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol?
You can request a quote for But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-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;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;7-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.