RefChem:177683
TL;DR: RefChem:177683 (CAS 68912-02-7) is a chemical compound with molecular formula C16H21N3O5S and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;methyl sulfate
Also Known As: 4-[[methylhydrazono]methyl]-1-methylpyridiniummethylsulphate, Pyridinium, 4-[[(4-methoxyphenyl)methylhydrazono]methyl]-1-methyl-, methyl sulfate, 4-[[(P-ANISYL)METHYLHYDRAZONO]METHYL]-1-METHYLPYRIDINIUM METHYL SULFATE, 4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;methyl sulfate, Pyridinium, 4-(((4-methoxyphenyl)methylhydrazono)methyl)-1-methyl-, methyl sulfate
| Molecular Formula | C16H21N3O5S |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 1.08 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.12018 |
| Heavy Atoms | 25 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 68912-02-7 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C=NN(C)C2=CC=C(C=C2)OC.COS(=O)(=O)[O-] |
| InChIKey | OZNLSKRKXXKXQO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:177683 (CAS 68912-02-7), with molecular formula C16H21N3O5S and molecular weight 367.12 g/mol. IUPAC: 4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;methyl sulfate.
Chemical Property Profile of RefChem:177683
Property Insights of RefChem:177683
The XLogP value of 1.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:177683. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:177683. Following Lipinski's Rule of Five, RefChem:177683 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:177683?
The CAS number of RefChem:177683 is 68912-02-7.
What is the molecular formula of RefChem:177683?
The molecular formula of RefChem:177683 is C16H21N3O5S.
What is the molecular weight of RefChem:177683?
The molecular weight of RefChem:177683 is 367.12 g/mol.
Where can I buy RefChem:177683?
You can request a quote for RefChem:177683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:177683?
Yes, KEHONG BIO provides custom synthesis services for RefChem:177683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.