![[4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea structure](/static/products/832/832099-06-6.png)
[4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea
TL;DR: [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea (CAS 832099-06-6) is a chemical compound with molecular formula C15H21F3N2OS and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-heptoxy-3-(trifluoromethyl)phenyl]thiourea
Also Known As: [4-heptoxy-3-(trifluoromethyl)phenyl]thiourea|N-[4-(Heptyloxy)-3-(trifluoromethyl)phenyl]thiourea|Thiourea, [4-(heptyloxy)-3-(trifluoromethyl)phenyl]-|Thiourea, N-[4-(heptyloxy)-3-(trifluoromethyl)phenyl]-|GYJBOEZSNLEPAP-UHFFFAOYSA-N
| Molecular Formula | C15H21F3N2OS |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 4.7101 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 334.13266 |
| Heavy Atoms | 22 |
| Complexity | 492.16617 |
Chemical Identifiers
| CAS Number | 832099-06-6 |
|---|---|
| SMILES | CCCCCCCOC1=C(C=C(C=C1)NC(=S)N)C(F)(F)F |
Product Overview
[4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea (CAS 832099-06-6), with molecular formula C15H21F3N2OS and molecular weight 334.13 g/mol. IUPAC: [4-heptoxy-3-(trifluoromethyl)phenyl]thiourea.
Chemical Property Profile of [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea
Property Insights of [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea
The XLogP value of 4.7101 indicates that [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.28 Ų, [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-Heptoxy-3-(trifluoromethyl)phenyl]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 [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea?
The CAS number of [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea is 832099-06-6.
What is the molecular formula of [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea?
The molecular formula of [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea is C15H21F3N2OS.
What is the molecular weight of [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea?
The molecular weight of [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea is 334.13 g/mol.
Where can I buy [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea?
You can request a quote for [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for [4-Heptoxy-3-(trifluoromethyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.