1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea
TL;DR: 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea (CAS 436127-27-4) is a chemical compound with molecular formula C18H22N2OS and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylbutyl)-3-(4-phenoxyphenyl)thiourea
Also Known As: 1-(3-methylbutyl)-3-(4-phenoxyphenyl)thiourea, N-(3-methylbutyl)-N'-(4-phenoxyphenyl)thiourea, N-ISOPENTYL-N'-(4-PHENOXYPHENYL)THIOUREA, [(3-methylbutyl)amino][(4-phenoxyphenyl)amino]methane-1-thione
| Molecular Formula | C18H22N2OS |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 4.8114 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.1453 |
| Heavy Atoms | 22 |
| Complexity | 581.79596 |
Chemical Identifiers
| CAS Number | 436127-27-4 |
|---|---|
| SMILES | CC(C)CCNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2 |
Product Overview
1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea (CAS 436127-27-4), with molecular formula C18H22N2OS and molecular weight 314.15 g/mol. IUPAC: 1-(3-methylbutyl)-3-(4-phenoxyphenyl)thiourea.
Chemical Property Profile of 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea
Property Insights of 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea
The XLogP value of 4.8114 indicates that 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.29 Ų, 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea has 2 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-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea?
The CAS number of 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea is 436127-27-4.
What is the molecular formula of 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea?
The molecular formula of 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea is C18H22N2OS.
What is the molecular weight of 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea?
The molecular weight of 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea is 314.15 g/mol.
Where can I buy 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea?
You can request a quote for 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylbutyl)-3-(4-phenoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.