1-Methylisatin, 3-(4-phenylthiosemicarbazide)
TL;DR: 1-Methylisatin, 3-(4-phenylthiosemicarbazide) (CAS 79560-75-1) is a chemical compound with molecular formula C16H14N4OS and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylthiourea
Also Known As: 1-Methylisatin, 1-methylisatin, 3-(4-phenylthiosemicarbazide), BAS 00348524, J1.511.405C, 1-methyl-1H-indole-2,3-dione 3-(N-phenylthiosemicarbazone)
| Molecular Formula | C16H14N4OS |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.08884 |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 79560-75-1 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1O)N=NC(=S)NC3=CC=CC=C3 |
| InChIKey | CGHOUYAFRAADMJ-UHFFFAOYSA-N |
Product Overview
1-Methylisatin, 3-(4-phenylthiosemicarbazide) (CAS 79560-75-1), with molecular formula C16H14N4OS and molecular weight 310.09 g/mol. IUPAC: 1-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylthiourea.
Chemical Property Profile of 1-Methylisatin, 3-(4-phenylthiosemicarbazide)
Property Insights of 1-Methylisatin, 3-(4-phenylthiosemicarbazide)
The XLogP value of 4.0 indicates that 1-Methylisatin, 3-(4-phenylthiosemicarbazide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylisatin, 3-(4-phenylthiosemicarbazide). Following Lipinski's Rule of Five, 1-Methylisatin, 3-(4-phenylthiosemicarbazide) 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 1-Methylisatin, 3-(4-phenylthiosemicarbazide)?
The CAS number of 1-Methylisatin, 3-(4-phenylthiosemicarbazide) is 79560-75-1.
What is the molecular formula of 1-Methylisatin, 3-(4-phenylthiosemicarbazide)?
The molecular formula of 1-Methylisatin, 3-(4-phenylthiosemicarbazide) is C16H14N4OS.
What is the molecular weight of 1-Methylisatin, 3-(4-phenylthiosemicarbazide)?
The molecular weight of 1-Methylisatin, 3-(4-phenylthiosemicarbazide) is 310.09 g/mol.
Where can I buy 1-Methylisatin, 3-(4-phenylthiosemicarbazide)?
You can request a quote for 1-Methylisatin, 3-(4-phenylthiosemicarbazide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylisatin, 3-(4-phenylthiosemicarbazide)?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylisatin, 3-(4-phenylthiosemicarbazide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.