RefChem:95753
TL;DR: RefChem:95753 (CAS 65294-07-7) is a chemical compound with molecular formula C34H40N2O3S and molecular weight 556.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-2-[3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate
Also Known As: 3H-Indolium, 1-ethyl-2-[3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1), 3H-Indolium, 1-ethyl-2-(3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-3,3-dimethyl-, 4-methylbenzenesulfonate (1:1), 3H-Indolium, 1-ethyl-2-(3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1), 1-Ethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indol-1-ium 4-methylbenzene-1-sulfonate, 3H-Indolium, 1-ethyl-2-[3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-, 4-methylbenzenesulfonate (1:1)
| Molecular Formula | C34H40N2O3S |
|---|---|
| Molecular Weight | 556.28 g/mol |
| LogP | 7.24 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 556.27594 |
| Heavy Atoms | 40 |
| Complexity | 843.0 |
Chemical Identifiers
| CAS Number | 65294-07-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CC)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | LWRDWVPZCVNXCD-UHFFFAOYSA-M |
Product Overview
RefChem:95753 (CAS 65294-07-7), with molecular formula C34H40N2O3S and molecular weight 556.28 g/mol. IUPAC: 1-ethyl-2-[3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:95753
Property Insights of RefChem:95753
The XLogP value of 7.24 indicates that RefChem:95753 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:95753. Following Lipinski's Rule of Five, RefChem:95753 has 0 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:95753?
The CAS number of RefChem:95753 is 65294-07-7.
What is the molecular formula of RefChem:95753?
The molecular formula of RefChem:95753 is C34H40N2O3S.
What is the molecular weight of RefChem:95753?
The molecular weight of RefChem:95753 is 556.28 g/mol.
Where can I buy RefChem:95753?
You can request a quote for RefChem:95753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.