N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea
TL;DR: N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea (CAS 335213-54-2) is a chemical compound with molecular formula C15H14BrN3O3S and molecular weight 394.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-pyridinyl)carbamothioyl]-3,4-dimethoxybenzamide
Also Known As: BAS 02818594, N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea, N-[(5-bromopyridin-2-yl)carbamothioyl]-3,4-dimethoxybenzamide, 1-(5-Bromo-pyridin-2-yl)-3-(3,4-dimethoxy-benzoyl)-thiourea, N-((5-bromopyridin-2-yl)carbamothioyl)-3,4-dimethoxybenzamide
| Molecular Formula | C15H14BrN3O3S |
|---|---|
| Molecular Weight | 394.99 g/mol |
| LogP | 2.9881 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.99393 |
| Heavy Atoms | 23 |
| Complexity | 722.4071 |
Chemical Identifiers
| CAS Number | 335213-54-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br)OC |
Product Overview
N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea (CAS 335213-54-2), with molecular formula C15H14BrN3O3S and molecular weight 394.99 g/mol. IUPAC: N-[(5-bromo-2-pyridinyl)carbamothioyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea
Property Insights of N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea
The XLogP value of 2.9881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea. The TPSA of 72.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea. Following Lipinski's Rule of Five, N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea has 2 hydrogen bond donor(s) and 5 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)-N'-(3,4-dimethoxybenzoyl)thiourea?
The CAS number of N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea is 335213-54-2.
What is the molecular formula of N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea?
The molecular formula of N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea is C15H14BrN3O3S.
What is the molecular weight of N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea?
The molecular weight of N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea is 394.99 g/mol.
Where can I buy N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea?
You can request a quote for N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea 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)-N'-(3,4-dimethoxybenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(5-bromopyridin-2-yl)-N'-(3,4-dimethoxybenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.