1-(Phenylsulfonyl)-3-indolecarboxaldehyde
TL;DR: 1-(Phenylsulfonyl)-3-indolecarboxaldehyde (CAS 81591-69-7) is a chemical compound with molecular formula C15H11NO3S and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)indole-3-carbaldehyde
Also Known As: 1-(phenylsulfonyl)-1h-indole-3-carbaldehyde, Dansylpropranolol, 1-(benzenesulfonyl)indole-3-carbaldehyde, 1-(Phenylsulfonyl)-3-indolecarboxaldehyde, 1-Benzenesulfonyl-1H-indole-3-carbaldehyde
| Molecular Formula | C15H11NO3S |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.04596 |
| Heavy Atoms | 20 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 81591-69-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O |
| InChIKey | ZLARITBCJILRBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Phenylsulfonyl)-3-indolecarboxaldehyde (CAS 81591-69-7), with molecular formula C15H11NO3S and molecular weight 285.05 g/mol. IUPAC: 1-(benzenesulfonyl)indole-3-carbaldehyde.
Chemical Property Profile of 1-(Phenylsulfonyl)-3-indolecarboxaldehyde
Property Insights of 1-(Phenylsulfonyl)-3-indolecarboxaldehyde
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylsulfonyl)-3-indolecarboxaldehyde. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenylsulfonyl)-3-indolecarboxaldehyde. Following Lipinski's Rule of Five, 1-(Phenylsulfonyl)-3-indolecarboxaldehyde 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-(Phenylsulfonyl)-3-indolecarboxaldehyde?
The CAS number of 1-(Phenylsulfonyl)-3-indolecarboxaldehyde is 81591-69-7.
What is the molecular formula of 1-(Phenylsulfonyl)-3-indolecarboxaldehyde?
The molecular formula of 1-(Phenylsulfonyl)-3-indolecarboxaldehyde is C15H11NO3S.
What is the molecular weight of 1-(Phenylsulfonyl)-3-indolecarboxaldehyde?
The molecular weight of 1-(Phenylsulfonyl)-3-indolecarboxaldehyde is 285.05 g/mol.
Where can I buy 1-(Phenylsulfonyl)-3-indolecarboxaldehyde?
You can request a quote for 1-(Phenylsulfonyl)-3-indolecarboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylsulfonyl)-3-indolecarboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylsulfonyl)-3-indolecarboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.