5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide
TL;DR: 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide (CAS 536722-56-2) is a chemical compound with molecular formula C12H10BrN3O2S and molecular weight 338.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)furan-2-carboxamide
Also Known As: F1201-0148, 3-(5-bromofuran-2-carbonyl)-1-[(pyridin-3-yl)methyl]thiourea, 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide, 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)furan-2-carboxamide, (5-bromo-2-furyl){3-[(3-pyridyl)methyl]thioureido}methanone
| Molecular Formula | C12H10BrN3O2S |
|---|---|
| Molecular Weight | 338.97 g/mol |
| LogP | 2.2416 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.9677 |
| Heavy Atoms | 19 |
| Complexity | 585.6702 |
Chemical Identifiers
| CAS Number | 536722-56-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=S)NC(=O)C2=CC=C(O2)Br |
Product Overview
5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide (CAS 536722-56-2), with molecular formula C12H10BrN3O2S and molecular weight 338.97 g/mol. IUPAC: 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)furan-2-carboxamide.
Chemical Property Profile of 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide
Property Insights of 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide
The XLogP value of 2.2416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide. Following Lipinski's Rule of Five, 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide 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 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide?
The CAS number of 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide is 536722-56-2.
What is the molecular formula of 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide?
The molecular formula of 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide is C12H10BrN3O2S.
What is the molecular weight of 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide?
The molecular weight of 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide is 338.97 g/mol.
Where can I buy 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide?
You can request a quote for 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-((pyridin-3-ylmethyl)carbamothioyl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.