2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide
TL;DR: 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide (CAS 329079-16-5) is a chemical compound with molecular formula C16H15BrN2OS and molecular weight 362.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide
Also Known As: 1-(benzylcarbamothioyl)-N-(4-bromo-3-methylphenyl)formamide, 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide, 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-thioxoacetamide, N-(4-bromo-3-methylphenyl)-2-[benzylamino]-2-thioxoacetamide, 2-BENZYLAMINO-N-(4-BROMO-3-METHYL-PHENYL)-2-THIOXO-ACETAMIDE
| Molecular Formula | C16H15BrN2OS |
|---|---|
| Molecular Weight | 362.01 g/mol |
| LogP | 3.81322 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.00885 |
| Heavy Atoms | 21 |
| Complexity | 658.5815 |
Chemical Identifiers
| CAS Number | 329079-16-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)C(=S)NCC2=CC=CC=C2)Br |
Product Overview
2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide (CAS 329079-16-5), with molecular formula C16H15BrN2OS and molecular weight 362.01 g/mol. IUPAC: 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide.
Chemical Property Profile of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide
Property Insights of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide
The XLogP value of 3.81322 indicates that 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide 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 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide?
The CAS number of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide is 329079-16-5.
What is the molecular formula of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide?
The molecular formula of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide is C16H15BrN2OS.
What is the molecular weight of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide?
The molecular weight of 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide is 362.01 g/mol.
Where can I buy 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide?
You can request a quote for 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-N-(4-bromo-3-methylphenyl)-2-sulfanylideneacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.