RefChem:387894
TL;DR: RefChem:387894 (CAS 68656-78-0) is a chemical compound with molecular formula C14H23ClN4O and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)-3-[N'-(2-methylpropyl)carbamimidoyl]urea;hydrochloride
Also Known As: Urea, 3-isobutylamidino-1-(2,6-dimethylphenyl)-, hydrochloride, 3-Isobutylamidino-1-(2,6-dimethylphenyl)urea hydrochloride, Urea, N-(2,6-dimethylphenyl)-N'-(imino((2-methylpropyl)amino)methyl)-, monohydrochloride, N-(2,6-Dimethylphenyl)-N'-(imino((2-methylpropyl)amino)methyl)urea hydrochloride, 1-(2,6-dimethylphenyl)-3-[N'-(2-methylpropyl)carbamimidoyl]urea hydrochloride
| Molecular Formula | C14H23ClN4O |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 2.81744 |
| Topological Polar Surface Area | 79.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.15604 |
| Heavy Atoms | 20 |
| Complexity | 465.8123 |
Chemical Identifiers
| CAS Number | 68656-78-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC(=NCC(C)C)N.Cl |
Product Overview
RefChem:387894 (CAS 68656-78-0), with molecular formula C14H23ClN4O and molecular weight 298.16 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-3-[N'-(2-methylpropyl)carbamimidoyl]urea;hydrochloride.
Chemical Property Profile of RefChem:387894
Property Insights of RefChem:387894
The XLogP value of 2.81744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:387894. The TPSA of 79.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:387894. Following Lipinski's Rule of Five, RefChem:387894 has 3 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 RefChem:387894?
The CAS number of RefChem:387894 is 68656-78-0.
What is the molecular formula of RefChem:387894?
The molecular formula of RefChem:387894 is C14H23ClN4O.
What is the molecular weight of RefChem:387894?
The molecular weight of RefChem:387894 is 298.16 g/mol.
Where can I buy RefChem:387894?
You can request a quote for RefChem:387894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:387894?
Yes, KEHONG BIO provides custom synthesis services for RefChem:387894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.