N-(1,1-dimethylprop-2-ynyl)urea
TL;DR: N-(1,1-dimethylprop-2-ynyl)urea (CAS 32957-01-0) is a chemical compound with molecular formula C6H10N2O and molecular weight 126.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-3-yn-2-ylurea
Also Known As: (2-methylbut-3-yn-2-yl)urea, 2-methylbut-3-yn-2-ylurea, N-(1,1-dimethylprop-2-ynyl)urea, 1,1-dimethylprop-2-ynylurea
| Molecular Formula | C6H10N2O |
|---|---|
| Molecular Weight | 126.08 g/mol |
| LogP | 0.0665 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.079315 |
| Heavy Atoms | 9 |
| Complexity | 154.93102 |
Chemical Identifiers
| CAS Number | 32957-01-0 |
|---|---|
| SMILES | CC(C)(C#C)NC(=O)N |
Product Overview
N-(1,1-dimethylprop-2-ynyl)urea (CAS 32957-01-0), with molecular formula C6H10N2O and molecular weight 126.08 g/mol. IUPAC: 2-methylbut-3-yn-2-ylurea.
Chemical Property Profile of N-(1,1-dimethylprop-2-ynyl)urea
Property Insights of N-(1,1-dimethylprop-2-ynyl)urea
The XLogP value of 0.0665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dimethylprop-2-ynyl)urea. With a topological polar surface area (TPSA) of 55.12 Ų, N-(1,1-dimethylprop-2-ynyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-dimethylprop-2-ynyl)urea 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 N-(1,1-dimethylprop-2-ynyl)urea?
The CAS number of N-(1,1-dimethylprop-2-ynyl)urea is 32957-01-0.
What is the molecular formula of N-(1,1-dimethylprop-2-ynyl)urea?
The molecular formula of N-(1,1-dimethylprop-2-ynyl)urea is C6H10N2O.
What is the molecular weight of N-(1,1-dimethylprop-2-ynyl)urea?
The molecular weight of N-(1,1-dimethylprop-2-ynyl)urea is 126.08 g/mol.
Where can I buy N-(1,1-dimethylprop-2-ynyl)urea?
You can request a quote for N-(1,1-dimethylprop-2-ynyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dimethylprop-2-ynyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dimethylprop-2-ynyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.