1-Butyl-3-(3,4-dimethoxyphenethyl)urea
TL;DR: 1-Butyl-3-(3,4-dimethoxyphenethyl)urea (CAS 67616-05-1) is a chemical compound with molecular formula C15H24N2O3 and molecular weight 280.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
Also Known As: 1-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3-BUTYLUREA, 1-Butyl-3-(3,4-dimethoxyphenethyl)urea, 3-butyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea, 1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea, N-Butyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]urea
| Molecular Formula | C15H24N2O3 |
|---|---|
| Molecular Weight | 280.18 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.17868 |
| Heavy Atoms | 20 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 67616-05-1 |
|---|---|
| SMILES | CCCCNC(=O)NCCC1=CC(=C(C=C1)OC)OC |
| InChIKey | YAKQAOSIMCLQBM-UHFFFAOYSA-N |
Product Overview
1-Butyl-3-(3,4-dimethoxyphenethyl)urea (CAS 67616-05-1), with molecular formula C15H24N2O3 and molecular weight 280.18 g/mol. IUPAC: 1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.
Chemical Property Profile of 1-Butyl-3-(3,4-dimethoxyphenethyl)urea
Property Insights of 1-Butyl-3-(3,4-dimethoxyphenethyl)urea
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-(3,4-dimethoxyphenethyl)urea. With a topological polar surface area (TPSA) of 59.6 Ų, 1-Butyl-3-(3,4-dimethoxyphenethyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-3-(3,4-dimethoxyphenethyl)urea has 2 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-Butyl-3-(3,4-dimethoxyphenethyl)urea?
The CAS number of 1-Butyl-3-(3,4-dimethoxyphenethyl)urea is 67616-05-1.
What is the molecular formula of 1-Butyl-3-(3,4-dimethoxyphenethyl)urea?
The molecular formula of 1-Butyl-3-(3,4-dimethoxyphenethyl)urea is C15H24N2O3.
What is the molecular weight of 1-Butyl-3-(3,4-dimethoxyphenethyl)urea?
The molecular weight of 1-Butyl-3-(3,4-dimethoxyphenethyl)urea is 280.18 g/mol.
Where can I buy 1-Butyl-3-(3,4-dimethoxyphenethyl)urea?
You can request a quote for 1-Butyl-3-(3,4-dimethoxyphenethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3-(3,4-dimethoxyphenethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-(3,4-dimethoxyphenethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.