1-(1H-indol-3-yl)-3-isobutylurea
TL;DR: 1-(1H-indol-3-yl)-3-isobutylurea (CAS 922848-89-3) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-yl)-3-(2-methylpropyl)urea
Also Known As: 1-(1H-indol-3-yl)-3-isobutylurea, 1-(3-indolyl)-3-isobutylurea, 1-(1H-indol-3-yl)-3-(2-methylpropyl)urea, F2740-0066
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 2.9454 |
| Topological Polar Surface Area | 56.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 516.1139 |
Chemical Identifiers
| CAS Number | 922848-89-3 |
|---|---|
| SMILES | CC(C)CNC(=O)NC1=CNC2=CC=CC=C21 |
Product Overview
1-(1H-indol-3-yl)-3-isobutylurea (CAS 922848-89-3), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: 1-(1H-indol-3-yl)-3-(2-methylpropyl)urea.
Chemical Property Profile of 1-(1H-indol-3-yl)-3-isobutylurea
Property Insights of 1-(1H-indol-3-yl)-3-isobutylurea
The XLogP value of 2.9454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-indol-3-yl)-3-isobutylurea. With a topological polar surface area (TPSA) of 56.92 Ų, 1-(1H-indol-3-yl)-3-isobutylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-indol-3-yl)-3-isobutylurea has 3 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-(1H-indol-3-yl)-3-isobutylurea?
The CAS number of 1-(1H-indol-3-yl)-3-isobutylurea is 922848-89-3.
What is the molecular formula of 1-(1H-indol-3-yl)-3-isobutylurea?
The molecular formula of 1-(1H-indol-3-yl)-3-isobutylurea is C13H17N3O.
What is the molecular weight of 1-(1H-indol-3-yl)-3-isobutylurea?
The molecular weight of 1-(1H-indol-3-yl)-3-isobutylurea is 231.14 g/mol.
Where can I buy 1-(1H-indol-3-yl)-3-isobutylurea?
You can request a quote for 1-(1H-indol-3-yl)-3-isobutylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-indol-3-yl)-3-isobutylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-indol-3-yl)-3-isobutylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.