![1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- structure](/static/products/881/88115-31-5.png)
1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-
TL;DR: 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- (CAS 88115-31-5) 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-[1-(4-methylphenyl)sulfonylindol-3-yl]acetonitrile
Also Known As: BAS 02869784, 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-, 2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetonitrile, [1-(Toluene-4-sulfonyl)-1H-indol-3-yl]-acetonitrile, [1-(4-Methylbenzene-1-sulfonyl)-1H-indol-3-yl]acetonitrile
| Molecular Formula | C17H14N2O2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 3.2528 |
| Topological Polar Surface Area | 62.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0776 |
| Heavy Atoms | 22 |
| Complexity | 977.666 |
Chemical Identifiers
| CAS Number | 88115-31-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC#N |
Product Overview
1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- (CAS 88115-31-5), with molecular formula C17H14N2O2S and molecular weight 310.08 g/mol. IUPAC: 2-[1-(4-methylphenyl)sulfonylindol-3-yl]acetonitrile.
Chemical Property Profile of 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-
Property Insights of 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-
The XLogP value of 3.2528 indicates that 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-. Following Lipinski's Rule of Five, 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- 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-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-?
The CAS number of 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- is 88115-31-5.
What is the molecular formula of 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-?
The molecular formula of 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- is C17H14N2O2S.
What is the molecular weight of 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-?
The molecular weight of 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- is 310.08 g/mol.
Where can I buy 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-?
You can request a quote for 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- 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-acetonitrile, 1-[(4-methylphenyl)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-acetonitrile, 1-[(4-methylphenyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.