Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-
TL;DR: Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)- (CAS 91561-27-2) is a chemical compound with molecular formula C12H17ClN2O and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(1-phenylpropan-2-yl)urea
Also Known As: benzyloxycarbonylthreonine amide, 1-(2-chloroethyl)-3-(1-phenylpropan-2-yl)urea, KST-1B9494, Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-, 1-(2-Chloroethyl)-3-(1-methyl-2-phenylethyl)urea
| Molecular Formula | C12H17ClN2O |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.10294 |
| Heavy Atoms | 16 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 91561-27-2 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)NC(=O)NCCCl |
| InChIKey | RPPAYBVAKVEDBE-UHFFFAOYSA-N |
Product Overview
Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)- (CAS 91561-27-2), with molecular formula C12H17ClN2O and molecular weight 240.10 g/mol. IUPAC: 1-(2-chloroethyl)-3-(1-phenylpropan-2-yl)urea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-
Property Insights of Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-. With a topological polar surface area (TPSA) of 41.1 Ų, Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)- 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 Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-?
The CAS number of Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)- is 91561-27-2.
What is the molecular formula of Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-?
The molecular formula of Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)- is C12H17ClN2O.
What is the molecular weight of Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-?
The molecular weight of Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)- is 240.10 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-?
You can request a quote for Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-3-(alpha-methylphenethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.