RefChem:95804
TL;DR: RefChem:95804 (CAS 62609-83-0) is a chemical compound with molecular formula C40H40IN3 and molecular weight 689.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2,4-bis(4-methylphenyl)-N-phenyl-6-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-amine iodide
Also Known As: 3H-Indolium, 2-(3-(4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene)-1-propenyl)-1,3,3-trimethyl-, iodide, 3H-Indolium, 2-(3-(4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene)-1-propen-1-yl)-1,3,3-trimethyl-, iodide (1:1), 1,3,3-Trimethyl-2-[3-[1-methylanilino-4,6-di-p-tolyl-1H-pyridin-2-ylidene]prop-1-enyl]-3H-indolium iodide, 3H-Indolium, 2-[3-[4,6-bis(4-methylphenyl)-1-(methylphenylamino)-2(1H)-pyridinylidene]-1-propenyl]-1,3,3-trimethyl-, iodide, 1,3,3-Trimethyl-2-(3-(1-methylanilino-4,6-di-p-tolyl-1H-pyridin-2-ylidene)prop-1-enyl)-3H-indolium iodide
| Molecular Formula | C40H40IN3 |
|---|---|
| Molecular Weight | 689.23 g/mol |
| LogP | 6.15 |
| Topological Polar Surface Area | 10.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 689.2267 |
| Heavy Atoms | 44 |
| Complexity | 945.0 |
Chemical Identifiers
| CAS Number | 62609-83-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)C)N(C)C4=CC=CC=C4)C=CC=C5C(C6=CC=CC=C6N5C)(C)C.[I-] |
| InChIKey | PALXKGOCUCYQEV-UHFFFAOYSA-M |
Product Overview
RefChem:95804 (CAS 62609-83-0), with molecular formula C40H40IN3 and molecular weight 689.23 g/mol. IUPAC: N-methyl-2,4-bis(4-methylphenyl)-N-phenyl-6-[3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]pyridin-1-ium-1-amine iodide.
Chemical Property Profile of RefChem:95804
Property Insights of RefChem:95804
The XLogP value of 6.15 indicates that RefChem:95804 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 10.4 Ų, RefChem:95804 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:95804 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:95804?
The CAS number of RefChem:95804 is 62609-83-0.
What is the molecular formula of RefChem:95804?
The molecular formula of RefChem:95804 is C40H40IN3.
What is the molecular weight of RefChem:95804?
The molecular weight of RefChem:95804 is 689.23 g/mol.
Where can I buy RefChem:95804?
You can request a quote for RefChem:95804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95804?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.