![3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide structure](/static/products/642/642980-34-5.png)
3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide
TL;DR: 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide (CAS 642980-34-5) is a chemical compound with molecular formula C14H17BrN2O2S and molecular weight 356.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
Also Known As: AN-329/41561841, 3-bromo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide, 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide, N-(3-bromo-4-methylbenzoyl)-N'-(tetrahydro-2-furanylmethyl)thiourea, 3-bromo-4-methyl-N-{[(tetrahydro-2-furanylmethyl)amino]carbonothioyl}benzamide
| Molecular Formula | C14H17BrN2O2S |
|---|---|
| Molecular Weight | 356.02 g/mol |
| LogP | 2.54082 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.0194 |
| Heavy Atoms | 20 |
| Complexity | 515.8954 |
Chemical Identifiers
| CAS Number | 642980-34-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2CCCO2)Br |
Product Overview
3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide (CAS 642980-34-5), with molecular formula C14H17BrN2O2S and molecular weight 356.02 g/mol. IUPAC: 3-bromo-4-methyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide.
Chemical Property Profile of 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide
Property Insights of 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide
The XLogP value of 2.54082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide. With a topological polar surface area (TPSA) of 50.36 Ų, 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide 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-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide?
The CAS number of 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide is 642980-34-5.
What is the molecular formula of 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide?
The molecular formula of 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide is C14H17BrN2O2S.
What is the molecular weight of 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide?
The molecular weight of 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide is 356.02 g/mol.
Where can I buy 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide?
You can request a quote for 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.