1-Isopropyl-3-(2,6-xylyl)urea
TL;DR: 1-Isopropyl-3-(2,6-xylyl)urea (CAS 20922-76-3) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)-3-propan-2-ylurea
Also Known As: 1-(2,6-dimethylphenyl)-3-propan-2-ylurea, 1-ISOPROPYL-3-(2,6-XYLYL)UREA, N-(2,6-Dimethylphenyl)-N'-(propan-2-yl)urea, 664-919-4, RefChem:433362
| Molecular Formula | C12H18N2O |
|---|---|
| Molecular Weight | 206.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.1419 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 20922-76-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC(C)C |
| InChIKey | HVAWBRCHWCBVOL-UHFFFAOYSA-N |
Product Overview
1-Isopropyl-3-(2,6-xylyl)urea (CAS 20922-76-3), with molecular formula C12H18N2O and molecular weight 206.14 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-3-propan-2-ylurea.
Chemical Property Profile of 1-Isopropyl-3-(2,6-xylyl)urea
Property Insights of 1-Isopropyl-3-(2,6-xylyl)urea
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isopropyl-3-(2,6-xylyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Isopropyl-3-(2,6-xylyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropyl-3-(2,6-xylyl)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-Isopropyl-3-(2,6-xylyl)urea?
The CAS number of 1-Isopropyl-3-(2,6-xylyl)urea is 20922-76-3.
What is the molecular formula of 1-Isopropyl-3-(2,6-xylyl)urea?
The molecular formula of 1-Isopropyl-3-(2,6-xylyl)urea is C12H18N2O.
What is the molecular weight of 1-Isopropyl-3-(2,6-xylyl)urea?
The molecular weight of 1-Isopropyl-3-(2,6-xylyl)urea is 206.14 g/mol.
Where can I buy 1-Isopropyl-3-(2,6-xylyl)urea?
You can request a quote for 1-Isopropyl-3-(2,6-xylyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isopropyl-3-(2,6-xylyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropyl-3-(2,6-xylyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.