1-(tert-butyl)-3-(1H-indol-3-yl)urea
TL;DR: 1-(tert-butyl)-3-(1H-indol-3-yl)urea (CAS 922938-89-4) 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-tert-butyl-3-(1H-indol-3-yl)urea
Also Known As: 3-tert-butyl-1-(1H-indol-3-yl)urea, 3-tert-butyl-1-(3-indolyl)urea, 1-(tert-butyl)-3-(1H-indol-3-yl)urea, 1-tert-butyl-3-(1H-indol-3-yl)urea, F2740-0068
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 3.0879 |
| Topological Polar Surface Area | 56.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 536.8333 |
Chemical Identifiers
| CAS Number | 922938-89-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NC1=CNC2=CC=CC=C21 |
Product Overview
1-(tert-butyl)-3-(1H-indol-3-yl)urea (CAS 922938-89-4), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: 1-tert-butyl-3-(1H-indol-3-yl)urea.
Chemical Property Profile of 1-(tert-butyl)-3-(1H-indol-3-yl)urea
Property Insights of 1-(tert-butyl)-3-(1H-indol-3-yl)urea
The XLogP value of 3.0879 indicates that 1-(tert-butyl)-3-(1H-indol-3-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.92 Ų, 1-(tert-butyl)-3-(1H-indol-3-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(tert-butyl)-3-(1H-indol-3-yl)urea 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-(tert-butyl)-3-(1H-indol-3-yl)urea?
The CAS number of 1-(tert-butyl)-3-(1H-indol-3-yl)urea is 922938-89-4.
What is the molecular formula of 1-(tert-butyl)-3-(1H-indol-3-yl)urea?
The molecular formula of 1-(tert-butyl)-3-(1H-indol-3-yl)urea is C13H17N3O.
What is the molecular weight of 1-(tert-butyl)-3-(1H-indol-3-yl)urea?
The molecular weight of 1-(tert-butyl)-3-(1H-indol-3-yl)urea is 231.14 g/mol.
Where can I buy 1-(tert-butyl)-3-(1H-indol-3-yl)urea?
You can request a quote for 1-(tert-butyl)-3-(1H-indol-3-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-butyl)-3-(1H-indol-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-3-(1H-indol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.