RefChem:1056860
TL;DR: RefChem:1056860 (CAS 84964-72-7) is a chemical compound with molecular formula C24H27NO4S and molecular weight 425.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(3E)-3-(3-ethylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: 3-Ethyl-9- thioxanthenehydrogenfumarate, N,N-Dimethyl-3-(3-ethyl-9H-thioxanthen-9-ylidene)-1-propanamine fumarate, 3-Ethyl-9-(3-dimethylaminopropylidene)thioxanthene hydrogen fumarate, 1-Propanamine, N,N-dimethyl-3-(3-ethyl-9H-thioxanthen-9-ylidene)-, (E)-2- butenedioate (1:1), (E)-but-2-enedioic acid,(3E)-3-(3-ethylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
| Molecular Formula | C24H27NO4S |
|---|---|
| Molecular Weight | 425.17 g/mol |
| LogP | 4.8088 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.16608 |
| Heavy Atoms | 30 |
| Complexity | 947.42834 |
Chemical Identifiers
| CAS Number | 84964-72-7 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)/C(=C/CCN(C)C)/C3=CC=CC=C3S2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056860 (CAS 84964-72-7), with molecular formula C24H27NO4S and molecular weight 425.17 g/mol. IUPAC: (E)-but-2-enedioic acid;(3E)-3-(3-ethylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of RefChem:1056860
Property Insights of RefChem:1056860
The XLogP value of 4.8088 indicates that RefChem:1056860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056860. Following Lipinski's Rule of Five, RefChem:1056860 has 2 hydrogen bond donor(s) and 4 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:1056860?
The CAS number of RefChem:1056860 is 84964-72-7.
What is the molecular formula of RefChem:1056860?
The molecular formula of RefChem:1056860 is C24H27NO4S.
What is the molecular weight of RefChem:1056860?
The molecular weight of RefChem:1056860 is 425.17 g/mol.
Where can I buy RefChem:1056860?
You can request a quote for RefChem:1056860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056860?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.