1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea
TL;DR: 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea (CAS 899989-79-8) is a chemical compound with molecular formula C16H13F2N3O and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,6-difluorophenyl)methyl]-3-(1H-indol-3-yl)urea
Also Known As: 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea, 1-[(2,6-difluorophenyl)methyl]-3-(1H-indol-3-yl)urea, F2740-0126, 3-[(2,6-difluorophenyl)methyl]-1-(3-indolyl)urea
| Molecular Formula | C16H13F2N3O |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 3.7678 |
| Topological Polar Surface Area | 56.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.10266 |
| Heavy Atoms | 22 |
| Complexity | 808.8739 |
Chemical Identifiers
| CAS Number | 899989-79-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)NC(=O)NCC3=C(C=CC=C3F)F |
Product Overview
1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea (CAS 899989-79-8), with molecular formula C16H13F2N3O and molecular weight 301.10 g/mol. IUPAC: 1-[(2,6-difluorophenyl)methyl]-3-(1H-indol-3-yl)urea.
Chemical Property Profile of 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea
Property Insights of 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea
The XLogP value of 3.7678 indicates that 1-(2,6-difluorobenzyl)-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-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-difluorobenzyl)-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-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea?
The CAS number of 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea is 899989-79-8.
What is the molecular formula of 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea?
The molecular formula of 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea is C16H13F2N3O.
What is the molecular weight of 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea?
The molecular weight of 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea is 301.10 g/mol.
Where can I buy 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea?
You can request a quote for 1-(2,6-difluorobenzyl)-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-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-difluorobenzyl)-3-(1H-indol-3-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.