RefChem:505688
TL;DR: RefChem:505688 (CAS 58798-47-3) is a chemical compound with molecular formula C22H27N3O3 and molecular weight 381.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine acetate
Also Known As: EC 261-448-2, 2-(((4-Methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-3H-indolium acetate, 2-[[(4-Methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium acetate, 3H-Indolium, 2-((2-(4-methoxyphenyl)-2-methylhydrazinylidene)methyl)-1,3,3-trimethyl-, acetate (1:1), 3H-Indolium, 2-(((4-methoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-, acetate
| Molecular Formula | C22H27N3O3 |
|---|---|
| Molecular Weight | 381.21 g/mol |
| LogP | 2.233 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.20523 |
| Heavy Atoms | 28 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 58798-47-3 |
|---|---|
| SMILES | CC(=O)[O-].CC1(C2=CC=CC=C2[N+](=C1C=NNCC3=CC=C(C=C3)OC)C)C |
| InChIKey | KLGHYJUTJNRXKP-UHFFFAOYSA-N |
Product Overview
RefChem:505688 (CAS 58798-47-3), with molecular formula C22H27N3O3 and molecular weight 381.21 g/mol. IUPAC: 1-(4-methoxyphenyl)-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine acetate.
Chemical Property Profile of RefChem:505688
Property Insights of RefChem:505688
The XLogP value of 2.233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:505688. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505688. Following Lipinski's Rule of Five, RefChem:505688 has 1 hydrogen bond donor(s) and 5 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:505688?
The CAS number of RefChem:505688 is 58798-47-3.
What is the molecular formula of RefChem:505688?
The molecular formula of RefChem:505688 is C22H27N3O3.
What is the molecular weight of RefChem:505688?
The molecular weight of RefChem:505688 is 381.21 g/mol.
Where can I buy RefChem:505688?
You can request a quote for RefChem:505688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505688?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.