1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide
TL;DR: 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide (CAS 54648-97-4) is a chemical compound with molecular formula C16H22N4OS and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea
Also Known As: 1H-INDOLE-3-ACETIC ACID, 2-METHYL-, 2-((BUTYLAMINO)THIOXOMETHYL)HYDRAZIDE, 2-Methyl-1H-indole-3-acetic acid 2-((butylamino)thioxomethyl)hydrazide, 1-butyl-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea, N-Butyl-2-[(2-methyl-1H-indol-3-yl)acetyl]hydrazine-1-carbothioamide, RefChem:239047
| Molecular Formula | C16H22N4OS |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 2.31422 |
| Topological Polar Surface Area | 68.95 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.15143 |
| Heavy Atoms | 22 |
| Complexity | 665.2096 |
Chemical Identifiers
| CAS Number | 54648-97-4 |
|---|---|
| SMILES | CCCCNC(=S)NNC(=O)CC1=C(NC2=CC=CC=C21)C |
Product Overview
1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide (CAS 54648-97-4), with molecular formula C16H22N4OS and molecular weight 318.15 g/mol. IUPAC: 1-butyl-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea.
Chemical Property Profile of 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide
Property Insights of 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide
The XLogP value of 2.31422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide. The TPSA of 68.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide. Following Lipinski's Rule of Five, 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide 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 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide?
The CAS number of 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide is 54648-97-4.
What is the molecular formula of 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide?
The molecular formula of 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide is C16H22N4OS.
What is the molecular weight of 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide?
The molecular weight of 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide is 318.15 g/mol.
Where can I buy 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide?
You can request a quote for 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-acetic acid, 2-methyl-, 2-((butylamino)thioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.