RefChem:239051
TL;DR: RefChem:239051 (CAS 54648-91-8) is a chemical compound with molecular formula C19H20N4OS and molecular weight 352.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-(3-methylphenyl)thiourea
Also Known As: 1H-Indole-3-acetic acid, 2-methyl-, 3-(((3-methylphenyl)amino)thioxomethyl)hydrazide, 2-Methyl-1H-indole-3-acetic acid 2-(((3-methylphenyl)amino)thioxomethyl)hydrazide, 1-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-(3-methylphenyl)thiourea, 2-[(2-Methyl-1H-indol-3-yl)acetyl]-N-(3-methylphenyl)hydrazine-1-carbothioamide, BRN 4560676
| Molecular Formula | C19H20N4OS |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 3.34504 |
| Topological Polar Surface Area | 68.95 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.13577 |
| Heavy Atoms | 25 |
| Complexity | 932.0737 |
Chemical Identifiers
| CAS Number | 54648-91-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NNC(=O)CC2=C(NC3=CC=CC=C32)C |
Product Overview
RefChem:239051 (CAS 54648-91-8), with molecular formula C19H20N4OS and molecular weight 352.14 g/mol. IUPAC: 1-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-(3-methylphenyl)thiourea.
Chemical Property Profile of RefChem:239051
Property Insights of RefChem:239051
The XLogP value of 3.34504 indicates that RefChem:239051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.95 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239051. Following Lipinski's Rule of Five, RefChem:239051 has 4 hydrogen bond donor(s) and 2 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 RefChem:239051?
The CAS number of RefChem:239051 is 54648-91-8.
What is the molecular formula of RefChem:239051?
The molecular formula of RefChem:239051 is C19H20N4OS.
What is the molecular weight of RefChem:239051?
The molecular weight of RefChem:239051 is 352.14 g/mol.
Where can I buy RefChem:239051?
You can request a quote for RefChem:239051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239051?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.