RefChem:1056862
TL;DR: RefChem:1056862 (CAS 69232-03-7) is a chemical compound with molecular formula C25H28FNO4S and molecular weight 457.17 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-(6-fluoro-2-propan-2-ylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: 6-Fluoro-2-isopropylprothixene hydrogen maleate, 6-Fluoro-2-isopropyl-9-(3-dimethylaminopropylidene)thioxanthene hydrogen maleate, 1-Propanamine, N,N-dimethyl-3-(6-fluoro-2-(1-methylethyl)-9H-thioxanthen-9-ylidene)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; (3E)-3-(6-fluoro-2-propan-2-ylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine, RefChem:1056862
| Molecular Formula | C25H28FNO4S |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 5.5089 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.1723 |
| Heavy Atoms | 32 |
| Complexity | 1028.2325 |
Chemical Identifiers
| CAS Number | 69232-03-7 |
|---|---|
| SMILES | CC(C)C1=CC\2=C(C=C1)SC3=C(/C2=C\CCN(C)C)C=CC(=C3)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056862 (CAS 69232-03-7), with molecular formula C25H28FNO4S and molecular weight 457.17 g/mol. IUPAC: (E)-but-2-enedioic acid;(3E)-3-(6-fluoro-2-propan-2-ylthioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of RefChem:1056862
Property Insights of RefChem:1056862
The XLogP value of 5.5089 indicates that RefChem:1056862 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:1056862. Following Lipinski's Rule of Five, RefChem:1056862 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056862?
The CAS number of RefChem:1056862 is 69232-03-7.
What is the molecular formula of RefChem:1056862?
The molecular formula of RefChem:1056862 is C25H28FNO4S.
What is the molecular weight of RefChem:1056862?
The molecular weight of RefChem:1056862 is 457.17 g/mol.
Where can I buy RefChem:1056862?
You can request a quote for RefChem:1056862 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056862?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056862 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.