![3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide structure](/static/products/817/817568-56-2.png)
3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide
TL;DR: 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide (CAS 817568-56-2) is a chemical compound with molecular formula C11H13BrN2O3S and molecular weight 331.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(2-hydroxyethylcarbamothioyl)-4-methoxybenzamide
Also Known As: 3-bromo-N-(2-hydroxyethylcarbamothioyl)-4-methoxybenzamide, 3-bromo-N-{[(2-hydroxyethyl)amino]carbonothioyl}-4-methoxybenzamide, 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide, AN-329/42724766, 3-bromo-N-(2-hydroxyethylthiocarbamoyl)-4-methoxy-benzamide
| Molecular Formula | C11H13BrN2O3S |
|---|---|
| Molecular Weight | 331.98 g/mol |
| LogP | 1.0543 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.98303 |
| Heavy Atoms | 18 |
| Complexity | 453.91452 |
Chemical Identifiers
| CAS Number | 817568-56-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NCCO)Br |
Product Overview
3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide (CAS 817568-56-2), with molecular formula C11H13BrN2O3S and molecular weight 331.98 g/mol. IUPAC: 3-bromo-N-(2-hydroxyethylcarbamothioyl)-4-methoxybenzamide.
Chemical Property Profile of 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide
Property Insights of 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide
The XLogP value of 1.0543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide. Following Lipinski's Rule of Five, 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide has 3 hydrogen bond donor(s) and 4 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-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide?
The CAS number of 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide is 817568-56-2.
What is the molecular formula of 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide?
The molecular formula of 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide is C11H13BrN2O3S.
What is the molecular weight of 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide?
The molecular weight of 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide is 331.98 g/mol.
Where can I buy 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide?
You can request a quote for 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide 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-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(2-hydroxyethylamino)-sulfanylidenemethyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.