3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea
TL;DR: 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea (CAS 300680-10-8) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-oxocyclohexen-1-yl)-3-phenylurea
Also Known As: starbld0029581, 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea, 1-(3-oxocyclohexen-1-yl)-3-phenylurea, 1-(3-oxo-1-cyclohexenyl)-3-phenyl-urea, 1-(3-oxocyclohexen-1-yl)-3-phenyl-urea
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 2.445 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 451.74707 |
Chemical Identifiers
| CAS Number | 300680-10-8 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)NC(=O)NC2=CC=CC=C2 |
Product Overview
3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea (CAS 300680-10-8), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 1-(3-oxocyclohexen-1-yl)-3-phenylurea.
Chemical Property Profile of 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea
Property Insights of 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea
The XLogP value of 2.445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea. With a topological polar surface area (TPSA) of 58.2 Ų, 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea has 2 hydrogen bond donor(s) and 2 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-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea?
The CAS number of 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea is 300680-10-8.
What is the molecular formula of 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea?
The molecular formula of 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea is C13H14N2O2.
What is the molecular weight of 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea?
The molecular weight of 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea is 230.11 g/mol.
Where can I buy 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea?
You can request a quote for 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Oxocyclohex-1-en-1-yl)-1-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.