1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride
TL;DR: 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride (CAS 68656-63-3) is a chemical compound with molecular formula C11H17ClN4O2 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
Also Known As: 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride, Urea, N-(2,6-dimethyl-4-hydroxyphenyl)-N'-(imino(methylamino)methyl)-, monohydrochloride, N-(2,6-Dimethyl-4-hydroxyphenyl)-N'-(imino(methylamino)methyl)urea hydrochloride, 1-(4-hydroxy-2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea hydrochloride, N-(4-Hydroxy-2,6-dimethylphenyl)-N'-(N'-methylcarbamimidoyl)urea--hydrogen chloride (1/1)
| Molecular Formula | C11H17ClN4O2 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 1.49684 |
| Topological Polar Surface Area | 99.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.104 |
| Heavy Atoms | 18 |
| Complexity | 451.10617 |
Chemical Identifiers
| CAS Number | 68656-63-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1NC(=O)NC(=NC)N)C)O.Cl |
Product Overview
1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride (CAS 68656-63-3), with molecular formula C11H17ClN4O2 and molecular weight 272.10 g/mol. IUPAC: 1-(4-hydroxy-2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride.
Chemical Property Profile of 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride
Property Insights of 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride
The XLogP value of 1.49684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride. The TPSA of 99.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride. Following Lipinski's Rule of Five, 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride has 4 hydrogen bond donor(s) and 3 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-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride?
The CAS number of 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride is 68656-63-3.
What is the molecular formula of 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride?
The molecular formula of 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride is C11H17ClN4O2.
What is the molecular weight of 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride?
The molecular weight of 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride is 272.10 g/mol.
Where can I buy 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride?
You can request a quote for 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride 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-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Dimethyl-4-hydroxyphenyl)-3-methylamidinourea hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.