1-Isobutyl-3-phenylurea
TL;DR: 1-Isobutyl-3-phenylurea (CAS 15099-85-1) is a chemical compound with molecular formula C11H16N2O and molecular weight 192.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpropyl)-3-phenylurea
Also Known As: 1-(2-methylpropyl)-3-phenylurea, 1-Isobutyl-3-phenylurea, N-isobutyl-N'-phenyl-urea, N-Isobutyl-N'-phenylharnstoff, LABOTEST-BB LT00000213
| Molecular Formula | C11H16N2O |
|---|---|
| Molecular Weight | 192.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.12627 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 15099-85-1 |
|---|---|
| SMILES | CC(C)CNC(=O)NC1=CC=CC=C1 |
| InChIKey | IKHKMGSVONNVKU-UHFFFAOYSA-N |
Product Overview
1-Isobutyl-3-phenylurea (CAS 15099-85-1), with molecular formula C11H16N2O and molecular weight 192.13 g/mol. IUPAC: 1-(2-methylpropyl)-3-phenylurea.
Chemical Property Profile of 1-Isobutyl-3-phenylurea
Property Insights of 1-Isobutyl-3-phenylurea
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isobutyl-3-phenylurea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Isobutyl-3-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isobutyl-3-phenylurea 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-Isobutyl-3-phenylurea?
The CAS number of 1-Isobutyl-3-phenylurea is 15099-85-1.
What is the molecular formula of 1-Isobutyl-3-phenylurea?
The molecular formula of 1-Isobutyl-3-phenylurea is C11H16N2O.
What is the molecular weight of 1-Isobutyl-3-phenylurea?
The molecular weight of 1-Isobutyl-3-phenylurea is 192.13 g/mol.
Where can I buy 1-Isobutyl-3-phenylurea?
You can request a quote for 1-Isobutyl-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isobutyl-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-Isobutyl-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.