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N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide
TL;DR: N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide (CAS 78852-28-5) is a chemical compound with molecular formula C14H12BrN3OS and molecular weight 348.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-pyridinyl)carbamothioyl]-4-methylbenzamide
Also Known As: BAS 02820368, N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide, N-(5-bromopyridin-2-yl)-N'-(4-methylbenzoyl)thiourea, 1-(5-Bromo-pyridin-2-yl)-3-(4-methyl-benzoyl)-thiourea, N-{[(5-bromo(2-pyridyl))amino]thioxomethyl}(4-methylphenyl)carboxamide
| Molecular Formula | C14H12BrN3OS |
|---|---|
| Molecular Weight | 348.99 g/mol |
| LogP | 3.27932 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.98846 |
| Heavy Atoms | 20 |
| Complexity | 625.8722 |
Chemical Identifiers
| CAS Number | 78852-28-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br |
Product Overview
N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide (CAS 78852-28-5), with molecular formula C14H12BrN3OS and molecular weight 348.99 g/mol. IUPAC: N-[(5-bromo-2-pyridinyl)carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide
Property Insights of N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide
The XLogP value of 3.27932 indicates that N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide 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 N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide?
The CAS number of N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide is 78852-28-5.
What is the molecular formula of N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide?
The molecular formula of N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide is C14H12BrN3OS.
What is the molecular weight of N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide?
The molecular weight of N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide is 348.99 g/mol.
Where can I buy N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide?
You can request a quote for N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.