3-Methylbut-2-enylurea
TL;DR: 3-Methylbut-2-enylurea (CAS 150785-41-4) is a chemical compound with molecular formula C6H12N2O and molecular weight 128.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-2-enylurea
Also Known As: 1-Prenylurea, 3-methylbut-2-enylurea, N-3-methyl-2-butenyl urea, (3-methylbut-2-en-1-yl)urea, 1-(3-methylbut-2-en-1-yl)urea
| Molecular Formula | C6H12N2O |
|---|---|
| Molecular Weight | 128.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.09496 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 150785-41-4 |
|---|---|
| SMILES | CC(=CCNC(=O)N)C |
| InChIKey | QJSGRDRVYCRQEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbut-2-enylurea (CAS 150785-41-4), with molecular formula C6H12N2O and molecular weight 128.09 g/mol. IUPAC: 3-methylbut-2-enylurea.
Chemical Property Profile of 3-Methylbut-2-enylurea
Property Insights of 3-Methylbut-2-enylurea
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbut-2-enylurea. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Methylbut-2-enylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbut-2-enylurea 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 3-Methylbut-2-enylurea?
The CAS number of 3-Methylbut-2-enylurea is 150785-41-4.
What is the molecular formula of 3-Methylbut-2-enylurea?
The molecular formula of 3-Methylbut-2-enylurea is C6H12N2O.
What is the molecular weight of 3-Methylbut-2-enylurea?
The molecular weight of 3-Methylbut-2-enylurea is 128.09 g/mol.
Where can I buy 3-Methylbut-2-enylurea?
You can request a quote for 3-Methylbut-2-enylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbut-2-enylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbut-2-enylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.