1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea
TL;DR: 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea (CAS 1022014-05-6) 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-(4-propan-2-ylphenyl)-3-prop-2-ynylurea
Also Known As: 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea, 1-(4-propan-2-ylphenyl)-3-prop-2-ynylurea, 1-(4-propan-2-ylphenyl)-3-prop-2-ynyl-urea, AB00036809-01
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.5647 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 387.38876 |
Chemical Identifiers
| CAS Number | 1022014-05-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)NCC#C |
Product Overview
1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea (CAS 1022014-05-6), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 1-(4-propan-2-ylphenyl)-3-prop-2-ynylurea.
Chemical Property Profile of 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea
Property Insights of 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea
The XLogP value of 2.5647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea. With a topological polar surface area (TPSA) of 41.13 Ų, 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Isopropyl-phenyl)-3-prop-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 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea?
The CAS number of 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea is 1022014-05-6.
What is the molecular formula of 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea?
The molecular formula of 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea is C13H16N2O.
What is the molecular weight of 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea?
The molecular weight of 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea is 216.13 g/mol.
Where can I buy 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea?
You can request a quote for 1-(4-Isopropyl-phenyl)-3-prop-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 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Isopropyl-phenyl)-3-prop-2-ynyl-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.