1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde
TL;DR: 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde (CAS 509-52-4) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
Also Known As: 1-Tosyl-1H-indole-3-carbaldehyde, 1-[(4-methylphenyl)sulfonyl]-1H-indole-3-carbaldehyde, N-tosyl-indole-3-carboxaldehyde, 1-tosyl-3-indolecarbaldehyde, 1-tosylindole-3-carbaldehyde
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 509-52-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O |
| InChIKey | OIPHRFQIBIQGJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde (CAS 509-52-4), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: 1-(4-methylphenyl)sulfonylindole-3-carbaldehyde.
Chemical Property Profile of 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde
Property Insights of 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde
The XLogP value of 3.1 indicates that 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde. Following Lipinski's Rule of Five, 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde 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 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde?
The CAS number of 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde is 509-52-4.
What is the molecular formula of 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde?
The molecular formula of 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde is C16H13NO3S.
What is the molecular weight of 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde?
The molecular weight of 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde is 299.06 g/mol.
Where can I buy 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde?
You can request a quote for 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.