![3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide structure](/static/products/4284/428458-76-8.webp)
3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide
TL;DR: 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide (CAS 428458-76-8) is a chemical compound with molecular formula C14H11BrClN3O2S and molecular weight 398.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]-4-methoxybenzamide
Also Known As: 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide, AP-970/40600815, 3-bromo-N-((5-chloropyridin-2-yl)carbamothioyl)-4-methoxybenzamide, N-(3-bromo-4-methoxybenzoyl)-N'-(5-chloro-2-pyridinyl)thiourea, 3-(3-BROMO-4-METHOXYBENZOYL)-1-(5-CHLOROPYRIDIN-2-YL)THIOUREA
| Molecular Formula | C14H11BrClN3O2S |
|---|---|
| Molecular Weight | 398.94 g/mol |
| LogP | 3.6329 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.9444 |
| Heavy Atoms | 22 |
| Complexity | 709.7342 |
Chemical Identifiers
| CAS Number | 428458-76-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Cl)Br |
Product Overview
3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide (CAS 428458-76-8), with molecular formula C14H11BrClN3O2S and molecular weight 398.94 g/mol. IUPAC: 3-bromo-N-[(5-chloro-2-pyridinyl)carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide
Property Insights of 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide
The XLogP value of 3.6329 indicates that 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide. Following Lipinski's Rule of Five, 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide has 2 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-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide?
The CAS number of 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide is 428458-76-8.
What is the molecular formula of 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide?
The molecular formula of 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide is C14H11BrClN3O2S.
What is the molecular weight of 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide?
The molecular weight of 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide is 398.94 g/mol.
Where can I buy 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide?
You can request a quote for 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-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-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[(5-chloropyridin-2-yl)carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.