1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea
TL;DR: 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea (CAS 849915-78-2) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-prop-2-enylurea
Also Known As: 1-allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea, 1-(2,5-dimethoxybenzyl)-3,3-dimethyl-1-prop-2-en-1-ylurea, 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-prop-2-enylurea
| Molecular Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | 2.3734 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.16306 |
| Heavy Atoms | 20 |
| Complexity | 472.18646 |
Chemical Identifiers
| CAS Number | 849915-78-2 |
|---|---|
| SMILES | CN(C)C(=O)N(CC=C)CC1=C(C=CC(=C1)OC)OC |
Product Overview
1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea (CAS 849915-78-2), with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol. IUPAC: 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-prop-2-enylurea.
Chemical Property Profile of 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea
Property Insights of 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea
The XLogP value of 2.3734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea. With a topological polar surface area (TPSA) of 42.01 Ų, 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea has 0 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-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea?
The CAS number of 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea is 849915-78-2.
What is the molecular formula of 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea?
The molecular formula of 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea is C15H22N2O3.
What is the molecular weight of 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea?
The molecular weight of 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea is 278.16 g/mol.
Where can I buy 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea?
You can request a quote for 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-1-(2,5-dimethoxybenzyl)-3,3-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.