1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride
TL;DR: 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride (CAS 65009-35-0) is a chemical compound with molecular formula C11H17ClN4O and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
Also Known As: LIDAMIDINE HYDROCHLORIDE, Lidamidine HCl, Lidarral, Smodin, Lidaral
| Molecular Formula | C11H17ClN4O |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 1.79 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.1091 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
| Solubility | >38.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 65009-35-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC(=NC)N.Cl |
| InChIKey | INMBONSHXVMDSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride (CAS 65009-35-0), with molecular formula C11H17ClN4O and molecular weight 256.11 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride.
Chemical Property Profile of 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride
Property Insights of 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride
The XLogP value of 1.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride. Following Lipinski's Rule of Five, 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride has 4 hydrogen bond donor(s) and 2 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 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride?
The CAS number of 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride is 65009-35-0.
What is the molecular formula of 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride?
The molecular formula of 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride is C11H17ClN4O.
What is the molecular weight of 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride?
The molecular weight of 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride is 256.11 g/mol.
Where can I buy 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride?
You can request a quote for 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Dimethylphenyl)-3-(imino(methylamino)methyl)uronium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.