1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide
TL;DR: 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide (CAS 56987-50-9) is a chemical compound with molecular formula C21H21N3OS and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
Also Known As: 1-NAPHTHALENEACETIC ACID, 2-(((3,4-DIMETHYLPHENYL)AMINO)THIOXOMETHYL)HYDRAZIDE, 2-(((3,4-Dimethylphenyl)amino)thioxomethyl)hydrazide of 1-naphthaleneacetic acid, 1-(3,4-dimethylphenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea, N-(3,4-Dimethylphenyl)-2-[(naphthalen-1-yl)acetyl]hydrazine-1-carbothioamide, RefChem:232198
| Molecular Formula | C21H21N3OS |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 4.01694 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.14053 |
| Heavy Atoms | 26 |
| Complexity | 963.1323 |
Chemical Identifiers
| CAS Number | 56987-50-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32)C |
Product Overview
1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide (CAS 56987-50-9), with molecular formula C21H21N3OS and molecular weight 363.14 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea.
Chemical Property Profile of 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide
Property Insights of 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide
The XLogP value of 4.01694 indicates that 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide has 3 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 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide?
The CAS number of 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide is 56987-50-9.
What is the molecular formula of 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide?
The molecular formula of 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide is C21H21N3OS.
What is the molecular weight of 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide?
The molecular weight of 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide is 363.14 g/mol.
Where can I buy 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide?
You can request a quote for 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthaleneacetic acid, 2-(((3,4-dimethylphenyl)amino)thioxomethyl)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.