(2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide
TL;DR: (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide (CAS 249516-38-9) is a chemical compound with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea
Also Known As: (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide, 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(2-oxoindol-3-yl)amino]thiourea, (Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxoindolin-3-ylidene)hydrazinecarbothioamide, 2,3-dimethyl-4-[({[(2-oxo(1H-benzo[d]azolin-3-ylidene))azamethyl]amino}thioxom ethyl)amino]-1-phenyl-3-pyrazolin-5-one
| Molecular Formula | C20H18N6O2S |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 4.15202 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.1212 |
| Heavy Atoms | 29 |
| Complexity | 1300.0028 |
Chemical Identifiers
| CAS Number | 249516-38-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N=NC3=C(NC4=CC=CC=C43)O |
Product Overview
(2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide (CAS 249516-38-9), with molecular formula C20H18N6O2S and molecular weight 406.12 g/mol. IUPAC: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(2-hydroxy-1H-indol-3-yl)imino]thiourea.
Chemical Property Profile of (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide
Property Insights of (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide
The XLogP value of 4.15202 indicates that (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide. Following Lipinski's Rule of Five, (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide has 3 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 (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide?
The CAS number of (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide is 249516-38-9.
What is the molecular formula of (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide?
The molecular formula of (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide is C20H18N6O2S.
What is the molecular weight of (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide?
The molecular weight of (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide is 406.12 g/mol.
Where can I buy (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide?
You can request a quote for (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.