Phenyl-2 isopropyl allophanate
TL;DR: Phenyl-2 isopropyl allophanate (CAS 106372-19-4) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-carbamoyl-N-phenylcarbamate
Also Known As: Scs 289, Phenyl-2 isopropyl allophanate, propan-2-yl N-carbamoyl-N-phenylcarbamate, Phenyl-2 allophanate d'isopropyle, (Aminocarbonyl)phenylcarbamic acid 1-methylethyl ester
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 106372-19-4 |
|---|---|
| SMILES | CC(C)OC(=O)N(C1=CC=CC=C1)C(=O)N |
| InChIKey | PJDBUJKWAAGPHW-UHFFFAOYSA-N |
Product Overview
Phenyl-2 isopropyl allophanate (CAS 106372-19-4), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: propan-2-yl N-carbamoyl-N-phenylcarbamate.
Chemical Property Profile of Phenyl-2 isopropyl allophanate
Property Insights of Phenyl-2 isopropyl allophanate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl-2 isopropyl allophanate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl-2 isopropyl allophanate. Following Lipinski's Rule of Five, Phenyl-2 isopropyl allophanate has 1 hydrogen bond donor(s) and 3 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 Phenyl-2 isopropyl allophanate?
The CAS number of Phenyl-2 isopropyl allophanate is 106372-19-4.
What is the molecular formula of Phenyl-2 isopropyl allophanate?
The molecular formula of Phenyl-2 isopropyl allophanate is C11H14N2O3.
What is the molecular weight of Phenyl-2 isopropyl allophanate?
The molecular weight of Phenyl-2 isopropyl allophanate is 222.10 g/mol.
Where can I buy Phenyl-2 isopropyl allophanate?
You can request a quote for Phenyl-2 isopropyl allophanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl-2 isopropyl allophanate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl-2 isopropyl allophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.