5-22-03-00123 (Beilstein Handbook Reference)
TL;DR: 5-22-03-00123 (Beilstein Handbook Reference) (CAS 54648-93-0) is a chemical compound with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea
Also Known As: 5-22-03-00123 (Beilstein Handbook Reference), 1H-Indole-3-acetic acid, 2-methyl-, 2-(((4-chlorophenyl)amino)thioxomethyl)hydrazide, 2-Methyl-1H-indole-3-acetic acid 2-(((4-chlorophenyl)amino)thioxomethyl)hydrazide, 1-(4-chlorophenyl)-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea, N-(4-Chlorophenyl)-2-[(2-methyl-1H-indol-3-yl)acetyl]hydrazine-1-carbothioamide
| Molecular Formula | C18H17ClN4OS |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 3.69002 |
| Topological Polar Surface Area | 68.95 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.08115 |
| Heavy Atoms | 25 |
| Complexity | 920.4757 |
Chemical Identifiers
| CAS Number | 54648-93-0 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)CC(=O)NNC(=S)NC3=CC=C(C=C3)Cl |
Product Overview
5-22-03-00123 (Beilstein Handbook Reference) (CAS 54648-93-0), with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea.
Chemical Property Profile of 5-22-03-00123 (Beilstein Handbook Reference)
Property Insights of 5-22-03-00123 (Beilstein Handbook Reference)
The XLogP value of 3.69002 indicates that 5-22-03-00123 (Beilstein Handbook Reference) 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 5-22-03-00123 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-22-03-00123 (Beilstein Handbook Reference) 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 5-22-03-00123 (Beilstein Handbook Reference)?
The CAS number of 5-22-03-00123 (Beilstein Handbook Reference) is 54648-93-0.
What is the molecular formula of 5-22-03-00123 (Beilstein Handbook Reference)?
The molecular formula of 5-22-03-00123 (Beilstein Handbook Reference) is C18H17ClN4OS.
What is the molecular weight of 5-22-03-00123 (Beilstein Handbook Reference)?
The molecular weight of 5-22-03-00123 (Beilstein Handbook Reference) is 372.08 g/mol.
Where can I buy 5-22-03-00123 (Beilstein Handbook Reference)?
You can request a quote for 5-22-03-00123 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-22-03-00123 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-22-03-00123 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.