N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide
TL;DR: N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide (CAS 6452-26-2) is a chemical compound with molecular formula C13H14N4OS and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-hydroxy-1H-indol-3-yl)imino]pyrrolidine-1-carbothioamide
Also Known As: NCI60_023924, BIM-0023131.P001, J3.533.309F, AB00087985-01, N'-(2-oxoindol-3-yl)pyrrolidine-1-carbothiohydrazide
| Molecular Formula | C13H14N4OS |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.08884 |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 6452-26-2 |
|---|---|
| SMILES | C1CCN(C1)C(=S)N=NC2=C(NC3=CC=CC=C32)O |
| InChIKey | MKKGVKPJCXSLAG-UHFFFAOYSA-N |
Product Overview
N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide (CAS 6452-26-2), with molecular formula C13H14N4OS and molecular weight 274.09 g/mol. IUPAC: N-[(2-hydroxy-1H-indol-3-yl)imino]pyrrolidine-1-carbothioamide.
Chemical Property Profile of N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide
Property Insights of N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide
The XLogP value of 3.1 indicates that N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide. Following Lipinski's Rule of Five, N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide has 2 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 N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide?
The CAS number of N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide is 6452-26-2.
What is the molecular formula of N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide?
The molecular formula of N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide is C13H14N4OS.
What is the molecular weight of N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide?
The molecular weight of N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide is 274.09 g/mol.
Where can I buy N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide?
You can request a quote for N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-pyrrolidinecarbothiohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.