RefChem:95762
TL;DR: RefChem:95762 (CAS 64130-98-9) is a chemical compound with molecular formula C22H29N3O5S and molecular weight 447.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine;methyl sulfate
Also Known As: 3H-Indolium, 2-(((4-ethoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-, methyl sulfate, 3H-Indolium, 2-(((p-ethoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-, methyl sulfate, 2-(N-(4-Ethoxy-N-methylanilino)formidoyl)-1,3,3-trimethyl-3H-indolium methosulfate, 3H-Indolium, 2-((2-(4-ethoxyphenyl)-2-methylhydrazinylidene)methyl)-1,3,3-trimethyl-, methyl sulfate (1:1), 3H-Indolium, 2-[[(4-ethoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, methyl sulfate
| Molecular Formula | C22H29N3O5S |
|---|---|
| Molecular Weight | 447.18 g/mol |
| LogP | 2.9599 |
| Topological Polar Surface Area | 103.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1828 |
| Heavy Atoms | 31 |
| Complexity | 1045.071 |
Chemical Identifiers
| CAS Number | 64130-98-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CN/N=C/C2=[N+](C3=CC=CC=C3C2(C)C)C.COS(=O)(=O)[O-] |
Product Overview
RefChem:95762 (CAS 64130-98-9), with molecular formula C22H29N3O5S and molecular weight 447.18 g/mol. IUPAC: 1-(4-ethoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine;methyl sulfate.
Chemical Property Profile of RefChem:95762
Property Insights of RefChem:95762
The XLogP value of 2.9599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:95762. The TPSA of 103.06 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:95762. Following Lipinski's Rule of Five, RefChem:95762 has 1 hydrogen bond donor(s) and 7 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:95762?
The CAS number of RefChem:95762 is 64130-98-9.
What is the molecular formula of RefChem:95762?
The molecular formula of RefChem:95762 is C22H29N3O5S.
What is the molecular weight of RefChem:95762?
The molecular weight of RefChem:95762 is 447.18 g/mol.
Where can I buy RefChem:95762?
You can request a quote for RefChem:95762 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95762?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95762 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.