(E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide
TL;DR: (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide (CAS 249516-29-8) is a chemical compound with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
Also Known As: (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide, AF-399/34012057, F0207-0660, 1-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea, 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
| Molecular Formula | C21H23N5O3S |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 2.82212 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.15216 |
| Heavy Atoms | 30 |
| Complexity | 1135.5338 |
Chemical Identifiers
| CAS Number | 249516-29-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N/N=C/C3=CC(=C(C=C3)OC)OC |
Product Overview
(E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide (CAS 249516-29-8), with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol. IUPAC: 1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea.
Chemical Property Profile of (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide
Property Insights of (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide
The XLogP value of 2.82212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide 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 (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide?
The CAS number of (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide is 249516-29-8.
What is the molecular formula of (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide?
The molecular formula of (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide is C21H23N5O3S.
What is the molecular weight of (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide?
The molecular weight of (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide is 425.15 g/mol.
Where can I buy (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide?
You can request a quote for (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3,4-dimethoxybenzylidene)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.