![2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide structure](/static/products/445/445013-72-9.png)
2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide
TL;DR: 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide (CAS 445013-72-9) is a chemical compound with molecular formula C19H21ClN6O2S and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]propanamide
Also Known As: 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide, 2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]propanamide, 2-[(5-{[(3-chlorophenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(5-methylfuran-2-yl)methylidene]propanehydrazide
| Molecular Formula | C19H21ClN6O2S |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 3.61292 |
| Topological Polar Surface Area | 97.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.11353 |
| Heavy Atoms | 29 |
| Complexity | 1015.8055 |
Chemical Identifiers
| CAS Number | 445013-72-9 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=N/NC(=O)C(C)SC2=NN=C(N2C)CNC3=CC(=CC=C3)Cl |
Product Overview
2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide (CAS 445013-72-9), with molecular formula C19H21ClN6O2S and molecular weight 432.11 g/mol. IUPAC: 2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]propanamide.
Chemical Property Profile of 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide
Property Insights of 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide
The XLogP value of 3.61292 indicates that 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide. Following Lipinski's Rule of Five, 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide has 2 hydrogen bond donor(s) and 7 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-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide?
The CAS number of 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide is 445013-72-9.
What is the molecular formula of 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide?
The molecular formula of 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide is C19H21ClN6O2S.
What is the molecular weight of 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide?
The molecular weight of 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide is 432.11 g/mol.
Where can I buy 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide?
You can request a quote for 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(3-chloroanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-methyl-2-furyl)methylene]propanohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.