RefChem:1075106
TL;DR: RefChem:1075106 (CAS 77602-71-2) 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.
(Z)-but-2-enedioic acid;(9E)-2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-4-ol
Also Known As: (E)-2-Chloro-9-(3-(dimethylamino)propylidene)-9H-thioxanthen-4-ol maleate, 9H-Thioxanthen-4-ol, 2-chloro-9-(3-(dimethylamino)propylidene)-, (E)-, (Z)-2-butenedioate (1:1), (E)-2-Chloro-4-hydroxy-9-(3-dimethylaminopropylidene)thioxanthene hydrogen maleate, (Z)-but-2-enedioic acid; (9E)-2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-4-ol, 9H-Thioxanthen-4-ol, 2-chloro-9-(3-(dimethylamino)propylidene)-, (Z)-, (Z)-2-butenedioate (1:1)
| 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 | 77602-71-2 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3O)Cl.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1075106 (CAS 77602-71-2), with molecular formula C22H22ClNO5S and molecular weight 447.09 g/mol. IUPAC: (Z)-but-2-enedioic acid;(9E)-2-chloro-9-[3-(dimethylamino)propylidene]thioxanthen-4-ol.
Chemical Property Profile of RefChem:1075106
Property Insights of RefChem:1075106
The XLogP value of 4.6054 indicates that RefChem:1075106 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 RefChem:1075106. Following Lipinski's Rule of Five, RefChem:1075106 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 RefChem:1075106?
The CAS number of RefChem:1075106 is 77602-71-2.
What is the molecular formula of RefChem:1075106?
The molecular formula of RefChem:1075106 is C22H22ClNO5S.
What is the molecular weight of RefChem:1075106?
The molecular weight of RefChem:1075106 is 447.09 g/mol.
Where can I buy RefChem:1075106?
You can request a quote for RefChem:1075106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1075106?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1075106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.