1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea
TL;DR: 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea (CAS 66655-17-2) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea
Also Known As: 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea, 1-butyl-3-[(3-methyl-4-oxonaphthalen-1-ylidene)amino]thiourea, 1-butyl-3-[(E)-(3-methyl-4-oxonaphthalen-1-ylidene)amino]thi, 1-butyl-3-[(E)-(3-methyl-4-oxonaphthalen-1-ylidene)amino]thiourea, (2E)-N-Butyl-2-(3-methyl-4-oxonaphthalen-1(4H)-ylidene)hydrazine-1-carbothioamide
| Molecular Formula | C16H19N3OS |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 4.61212 |
| Topological Polar Surface Area | 56.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.12488 |
| Heavy Atoms | 21 |
| Complexity | 682.5216 |
Chemical Identifiers
| CAS Number | 66655-17-2 |
|---|---|
| SMILES | CCCCNC(=S)N=NC1=CC(=C(C2=CC=CC=C21)O)C |
Product Overview
1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea (CAS 66655-17-2), with molecular formula C16H19N3OS and molecular weight 301.12 g/mol. IUPAC: 1-butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea.
Chemical Property Profile of 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea
Property Insights of 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea
The XLogP value of 4.61212 indicates that 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.98 Ų, 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea has 2 hydrogen bond donor(s) and 3 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-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea?
The CAS number of 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea is 66655-17-2.
What is the molecular formula of 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea?
The molecular formula of 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea is C16H19N3OS.
What is the molecular weight of 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea?
The molecular weight of 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea is 301.12 g/mol.
Where can I buy 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea?
You can request a quote for 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-(4-hydroxy-3-methylnaphthalen-1-yl)iminothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.