3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea
TL;DR: 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea (CAS 107598-62-9) is a chemical compound with molecular formula C14H22N2O and molecular weight 234.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butan-2-yl-3-methylphenyl)-1,1-dimethylurea
Also Known As: 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea, 3-(4-butan-2-yl-3-methyl-phenyl)-1,1-dimethyl-urea, N'-[4-(Butan-2-yl)-3-methylphenyl]-N,N-dimethylurea
| Molecular Formula | C14H22N2O |
|---|---|
| Molecular Weight | 234.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.17322 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 107598-62-9 |
|---|---|
| SMILES | CCC(C)C1=C(C=C(C=C1)NC(=O)N(C)C)C |
| InChIKey | DKDOOESTZBDXDI-UHFFFAOYSA-N |
Product Overview
3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea (CAS 107598-62-9), with molecular formula C14H22N2O and molecular weight 234.17 g/mol. IUPAC: 3-(4-butan-2-yl-3-methylphenyl)-1,1-dimethylurea.
Chemical Property Profile of 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea
Property Insights of 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea
The XLogP value of 3.1 indicates that 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea has 1 hydrogen bond donor(s) and 1 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 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea?
The CAS number of 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea is 107598-62-9.
What is the molecular formula of 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea?
The molecular formula of 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea is C14H22N2O.
What is the molecular weight of 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea?
The molecular weight of 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea is 234.17 g/mol.
Where can I buy 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea?
You can request a quote for 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Butan-2-yl-3-methylphenyl)-1,1-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.