![3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide structure](/static/products/4319/431999-47-2.webp)
3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide
TL;DR: 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide (CAS 431999-47-2) is a chemical compound with molecular formula C18H19BrN2O2S and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide
Also Known As: 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide
| Molecular Formula | C18H19BrN2O2S |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 4.59144 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.03506 |
| Heavy Atoms | 24 |
| Complexity | 757.35925 |
Chemical Identifiers
| CAS Number | 431999-47-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C)C)Br |
Product Overview
3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide (CAS 431999-47-2), with molecular formula C18H19BrN2O2S and molecular weight 406.04 g/mol. IUPAC: 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide.
Chemical Property Profile of 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide
Property Insights of 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide
The XLogP value of 4.59144 indicates that 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide 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 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide?
The CAS number of 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide is 431999-47-2.
What is the molecular formula of 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide?
The molecular formula of 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide is C18H19BrN2O2S.
What is the molecular weight of 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide?
The molecular weight of 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide is 406.04 g/mol.
Where can I buy 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide?
You can request a quote for 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]-4-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.