1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea
TL;DR: 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea (CAS 33082-80-3) is a chemical compound with molecular formula C13H19ClN2O and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea
Also Known As: KST-1B3222, 1-(2-chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea, Urea, 1-(2-chloroethyl)-3-(, A,, A-dimethylphenethyl)-
| Molecular Formula | C13H19ClN2O |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.11859 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 33082-80-3 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)NC(=O)NCCCl |
| InChIKey | KNNXGYCEUVHRSD-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea (CAS 33082-80-3), with molecular formula C13H19ClN2O and molecular weight 254.12 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea
Property Insights of 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)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-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea?
The CAS number of 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea is 33082-80-3.
What is the molecular formula of 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea?
The molecular formula of 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea is C13H19ClN2O.
What is the molecular weight of 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea?
The molecular weight of 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea is 254.12 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea?
You can request a quote for 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(2-methyl-1-phenylpropan-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.