2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide
TL;DR: 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide (CAS 550304-57-9) is a chemical compound with molecular formula C13H12BrN3O2S and molecular weight 352.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-bromofuran-2-carbonyl)amino]-3-(3-methylphenyl)thiourea
Also Known As: 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide, 1-[(5-bromofuran-2-carbonyl)amino]-3-(3-methylphenyl)thiourea, 2-[(5-bromofuran-2-yl)carbonyl]-N-(3-methylphenyl)hydrazinecarbothioamide, (5-bromo(2-furyl))-N-({[(3-methylphenyl)amino]thioxomethyl}amino)carboxamide
| Molecular Formula | C13H12BrN3O2S |
|---|---|
| Molecular Weight | 352.98 g/mol |
| LogP | 2.98192 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.98337 |
| Heavy Atoms | 20 |
| Complexity | 642.05145 |
Chemical Identifiers
| CAS Number | 550304-57-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=C(O2)Br |
Product Overview
2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide (CAS 550304-57-9), with molecular formula C13H12BrN3O2S and molecular weight 352.98 g/mol. IUPAC: 1-[(5-bromofuran-2-carbonyl)amino]-3-(3-methylphenyl)thiourea.
Chemical Property Profile of 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide
Property Insights of 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide
The XLogP value of 2.98192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide has 3 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 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide?
The CAS number of 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide is 550304-57-9.
What is the molecular formula of 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide?
The molecular formula of 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide is C13H12BrN3O2S.
What is the molecular weight of 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide?
The molecular weight of 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide is 352.98 g/mol.
Where can I buy 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide?
You can request a quote for 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-bromo-2-furoyl)-N-(3-methylphenyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.