Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-
TL;DR: Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)- (CAS 69921-35-3) is a chemical compound with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1,1-bis(prop-2-ynyl)urea
Also Known As: Urea,N-di-2-propynyl-, 1- -3,3-di urea, Urea,3-di(2-propynyl)-, Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-, 1,1-Di(2-propynyl)-3-p-chlorophenylurea
| Molecular Formula | C13H11ClN2O |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.05598 |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 69921-35-3 |
|---|---|
| SMILES | C#CCN(CC#C)C(=O)NC1=CC=C(C=C1)Cl |
| InChIKey | RDRVGGLZHNTIPG-UHFFFAOYSA-N |
Product Overview
Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)- (CAS 69921-35-3), with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol. IUPAC: 3-(4-chlorophenyl)-1,1-bis(prop-2-ynyl)urea.
Chemical Property Profile of Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-
Property Insights of Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-. With a topological polar surface area (TPSA) of 32.3 Ų, Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)- has 1 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 Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-?
The CAS number of Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)- is 69921-35-3.
What is the molecular formula of Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-?
The molecular formula of Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)- is C13H11ClN2O.
What is the molecular weight of Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-?
The molecular weight of Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)- is 246.06 g/mol.
Where can I buy Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-?
You can request a quote for Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(p-chlorophenyl)-3,3-di(2-propynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.