1-(3,4-Dichlorophenyl)-3-isobutylurea
TL;DR: 1-(3,4-Dichlorophenyl)-3-isobutylurea (CAS 500604-74-0) is a chemical compound with molecular formula C11H14Cl2N2O and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)urea
Also Known As: 1-(3,4-dichlorophenyl)-3-isobutylurea, AURORA 11826, 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)urea, 1-tert-butyl-3-(3,4-dichlorophenyl)urea, 1-(3,4-DICHLORO-PHENYL)-3-ISOBUTYL-UREA
| Molecular Formula | C11H14Cl2N2O |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0483 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 500604-74-0 |
|---|---|
| SMILES | CC(C)CNC(=O)NC1=CC(=C(C=C1)Cl)Cl |
| InChIKey | AUCLZOQDOXROKE-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dichlorophenyl)-3-isobutylurea (CAS 500604-74-0), with molecular formula C11H14Cl2N2O and molecular weight 260.05 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-3-(2-methylpropyl)urea.
Chemical Property Profile of 1-(3,4-Dichlorophenyl)-3-isobutylurea
Property Insights of 1-(3,4-Dichlorophenyl)-3-isobutylurea
The XLogP value of 4.5 indicates that 1-(3,4-Dichlorophenyl)-3-isobutylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(3,4-Dichlorophenyl)-3-isobutylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichlorophenyl)-3-isobutylurea has 2 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 1-(3,4-Dichlorophenyl)-3-isobutylurea?
The CAS number of 1-(3,4-Dichlorophenyl)-3-isobutylurea is 500604-74-0.
What is the molecular formula of 1-(3,4-Dichlorophenyl)-3-isobutylurea?
The molecular formula of 1-(3,4-Dichlorophenyl)-3-isobutylurea is C11H14Cl2N2O.
What is the molecular weight of 1-(3,4-Dichlorophenyl)-3-isobutylurea?
The molecular weight of 1-(3,4-Dichlorophenyl)-3-isobutylurea is 260.05 g/mol.
Where can I buy 1-(3,4-Dichlorophenyl)-3-isobutylurea?
You can request a quote for 1-(3,4-Dichlorophenyl)-3-isobutylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dichlorophenyl)-3-isobutylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dichlorophenyl)-3-isobutylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.