(4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate
TL;DR: (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate (CAS 1002974-36-8) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate
Also Known As: (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate, 1h-indazole-3-carboxylic acid, [4-(methylthio)phenyl]methyl ester
| Molecular Formula | C16H14N2O2S |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.6418 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0776 |
| Heavy Atoms | 21 |
| Complexity | 765.30286 |
Chemical Identifiers
| CAS Number | 1002974-36-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)COC(=O)C2=NNC3=CC=CC=C32 |
Product Overview
(4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate (CAS 1002974-36-8), with molecular formula C16H14N2O2S and molecular weight 298.08 g/mol. IUPAC: (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate.
Chemical Property Profile of (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate
Property Insights of (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate
The XLogP value of 3.6418 indicates that (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate has 1 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 (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate?
The CAS number of (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate is 1002974-36-8.
What is the molecular formula of (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate?
The molecular formula of (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate is C16H14N2O2S.
What is the molecular weight of (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate?
The molecular weight of (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate is 298.08 g/mol.
Where can I buy (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate?
You can request a quote for (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-methylsulfanylphenyl)methyl 1H-indazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.