![N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide structure](/static/products/3143/31430-37-2.webp)
N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide
TL;DR: N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide (CAS 31430-37-2) is a chemical compound with molecular formula C13H10BrN3OS and molecular weight 334.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-pyridinyl)carbamothioyl]benzamide
Also Known As: N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide, 1-(5-Bromo-2-pyridyl)-3-benzoylthiourea, 1-Benzoyl-3-(5-bromopyridin-2-yl)thiourea, N-Benzoyl-N -(5-bromo-2-pyridyl)thiourea, 1-benzoyl-3-(5-bromo-pyridin-2-yl)-thiourea
| Molecular Formula | C13H10BrN3OS |
|---|---|
| Molecular Weight | 334.97 g/mol |
| LogP | 2.9709 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.9728 |
| Heavy Atoms | 19 |
| Complexity | 586.59717 |
Chemical Identifiers
| CAS Number | 31430-37-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br |
Product Overview
N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide (CAS 31430-37-2), with molecular formula C13H10BrN3OS and molecular weight 334.97 g/mol. IUPAC: N-[(5-bromo-2-pyridinyl)carbamothioyl]benzamide.
Chemical Property Profile of N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide
Property Insights of N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide
The XLogP value of 2.9709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide. With a topological polar surface area (TPSA) of 54.02 Ų, N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(5-bromopyridin-2-yl)carbamothioyl]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 N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide?
The CAS number of N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide is 31430-37-2.
What is the molecular formula of N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide?
The molecular formula of N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide is C13H10BrN3OS.
What is the molecular weight of N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide?
The molecular weight of N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide is 334.97 g/mol.
Where can I buy N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide?
You can request a quote for N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide 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]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.