1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-
TL;DR: 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl- (CAS 498538-34-4) is a chemical compound with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonylmethyl)-1-methylindole-3-carbonitrile
Also Known As: TimTec1_004731, BAS 07119759, 2-(benzenesulfonylmethyl)-1-methylindole-3-carbonitrile, 1-methyl-2-[(phenylsulfonyl)methyl]indole-3-carbonitrile, 1-methyl-2-[(phenylsulfonyl)methyl]-1H-indol-3-yl cyanide
| Molecular Formula | C17H14N2O2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0776 |
| Heavy Atoms | 22 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 498538-34-4 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1CS(=O)(=O)C3=CC=CC=C3)C#N |
| InChIKey | XTVWZQBZIMXNRF-UHFFFAOYSA-N |
Product Overview
1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl- (CAS 498538-34-4), with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol. IUPAC: 2-(benzenesulfonylmethyl)-1-methylindole-3-carbonitrile.
Chemical Property Profile of 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-
Property Insights of 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-. Following Lipinski's Rule of Five, 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl- has 0 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 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-?
The CAS number of 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl- is 498538-34-4.
What is the molecular formula of 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-?
The molecular formula of 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl- is C17H14N2O2S.
What is the molecular weight of 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-?
The molecular weight of 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl- is 310.08 g/mol.
Where can I buy 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-?
You can request a quote for 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-carbonitrile, 2-benzenesulfonylmethyl-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.