RefChem:132746
TL;DR: RefChem:132746 (CAS 68631-07-2) 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.
4-ethoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;methyl sulfate
Also Known As: Diazenium, 2-((1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl)-1-(4-ethoxyphenyl)-1-methyl-, methyl sulfate, Diazenium, 2-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]-1-(4-ethoxyphenyl)-1-methyl-, methyl sulfate, Diazenium, 2-((1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl)-1-(4-ethoxyphenyl)-1-methyl-, methyl sulfate (1:1), Diazenium, 2-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]-1-(4-ethoxyphenyl)-1-methyl-, methyl sulfate (1:1), RefChem:132746
| Molecular Formula | C22H29N3O5S |
|---|---|
| Molecular Weight | 447.18 g/mol |
| LogP | 3.31 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.1828 |
| Heavy Atoms | 31 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 68631-07-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N(C)N=CC2=[N+](C3=CC=CC=C3C2(C)C)C.COS(=O)(=O)[O-] |
| InChIKey | ZNOMMTDXZNOWDR-UHFFFAOYSA-M |
Product Overview
RefChem:132746 (CAS 68631-07-2), with molecular formula C22H29N3O5S and molecular weight 447.18 g/mol. IUPAC: 4-ethoxy-N-methyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;methyl sulfate.
Chemical Property Profile of RefChem:132746
Property Insights of RefChem:132746
The XLogP value of 3.31 indicates that RefChem:132746 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:132746. Following Lipinski's Rule of Five, RefChem:132746 has 0 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:132746?
The CAS number of RefChem:132746 is 68631-07-2.
What is the molecular formula of RefChem:132746?
The molecular formula of RefChem:132746 is C22H29N3O5S.
What is the molecular weight of RefChem:132746?
The molecular weight of RefChem:132746 is 447.18 g/mol.
Where can I buy RefChem:132746?
You can request a quote for RefChem:132746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:132746?
Yes, KEHONG BIO provides custom synthesis services for RefChem:132746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.