N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea
TL;DR: N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea (CAS 92960-75-3) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-(3-methylphenyl)-3-prop-2-ynylurea
Also Known As: 1,1-dimethyl-3-(3-methylphenyl)-3-prop-2-ynylurea, N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea, N,N-Dimethyl-N'-(3-methylphenyl)-N'-(prop-2-yn-1-yl)urea
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 92960-75-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N(CC#C)C(=O)N(C)C |
| InChIKey | CDFQYLBFLZPBEZ-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea (CAS 92960-75-3), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 1,1-dimethyl-3-(3-methylphenyl)-3-prop-2-ynylurea.
Chemical Property Profile of N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea
Property Insights of N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea. With a topological polar surface area (TPSA) of 23.6 Ų, N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea has 0 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,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea?
The CAS number of N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea is 92960-75-3.
What is the molecular formula of N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea?
The molecular formula of N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea is C13H16N2O.
What is the molecular weight of N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea?
The molecular weight of N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea is 216.13 g/mol.
Where can I buy N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea?
You can request a quote for N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-N'-(3-methylphenyl)-N'-prop-2-yn-1-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.