C16H19N5O2.CH3I
TL;DR: C16H19N5O2.CH3I (CAS 69766-32-1) is a chemical compound with molecular formula C17H22IN5O2 and molecular weight 455.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(dimethylamino)-2-[(1-methylpyridin-1-ium-3-yl)diazenyl]phenyl] N,N-dimethylcarbamate iodide
Also Known As: Ro 2-1947/1, Carbamic acid, dimethyl-, 5-(dimethylamino)-2-(3-pyridylazo)phenyl ester, methiodide, Dimethylcarbamic acid 5-(dimethylamino)-2-(3-pyridylazo)phenyl ester methiodide, [5-(Dimethylamino)-2-(1-methylpyridin-1-ium-3-yl)diazenylphenyl]n,N-dimethylcarbamate iodide, [5-(dimethylamino)-2-[(1-methylpyridin-1-ium-3-yl)diazenyl]phenyl] N,N-dimethylcarbamate iodide
| Molecular Formula | C17H22IN5O2 |
|---|---|
| Molecular Weight | 455.08 g/mol |
| LogP | 0.06 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.08182 |
| Heavy Atoms | 25 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 69766-32-1 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)N=NC2=C(C=C(C=C2)N(C)C)OC(=O)N(C)C.[I-] |
| InChIKey | BDMVTMSTLZICOM-UHFFFAOYSA-M |
Product Overview
C16H19N5O2.CH3I (CAS 69766-32-1), with molecular formula C17H22IN5O2 and molecular weight 455.08 g/mol. IUPAC: [5-(dimethylamino)-2-[(1-methylpyridin-1-ium-3-yl)diazenyl]phenyl] N,N-dimethylcarbamate iodide.
Chemical Property Profile of C16H19N5O2.CH3I
Property Insights of C16H19N5O2.CH3I
The XLogP value of 0.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H19N5O2.CH3I. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H19N5O2.CH3I. Following Lipinski's Rule of Five, C16H19N5O2.CH3I has 0 hydrogen bond donor(s) and 6 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 C16H19N5O2.CH3I?
The CAS number of C16H19N5O2.CH3I is 69766-32-1.
What is the molecular formula of C16H19N5O2.CH3I?
The molecular formula of C16H19N5O2.CH3I is C17H22IN5O2.
What is the molecular weight of C16H19N5O2.CH3I?
The molecular weight of C16H19N5O2.CH3I is 455.08 g/mol.
Where can I buy C16H19N5O2.CH3I?
You can request a quote for C16H19N5O2.CH3I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H19N5O2.CH3I?
Yes, KEHONG BIO provides custom synthesis services for C16H19N5O2.CH3I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.