2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide
TL;DR: 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide (CAS 649563-25-7) is a chemical compound with molecular formula C18H27BrN2O2S and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide
Also Known As: 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide, 2-(2-bromo-4-ethylphenoxy)-N-[(heptylamino)carbonothioyl]acetamide, 2-(2-bromo-4-ethyl-phenoxy)-N-(heptylthiocarbamoyl)acetamide
| Molecular Formula | C18H27BrN2O2S |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 4.3514 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 414.09766 |
| Heavy Atoms | 24 |
| Complexity | 537.75006 |
Chemical Identifiers
| CAS Number | 649563-25-7 |
|---|---|
| SMILES | CCCCCCCNC(=S)NC(=O)COC1=C(C=C(C=C1)CC)Br |
Product Overview
2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide (CAS 649563-25-7), with molecular formula C18H27BrN2O2S and molecular weight 414.10 g/mol. IUPAC: 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide.
Chemical Property Profile of 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide
Property Insights of 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide
The XLogP value of 4.3514 indicates that 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide 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 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide?
The CAS number of 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide is 649563-25-7.
What is the molecular formula of 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide?
The molecular formula of 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide is C18H27BrN2O2S.
What is the molecular weight of 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide?
The molecular weight of 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide is 414.10 g/mol.
Where can I buy 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide?
You can request a quote for 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-bromo-4-ethylphenoxy)-N-(heptylcarbamothioyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.