RefChem:551505
TL;DR: RefChem:551505 (CAS 55203-66-2) is a chemical compound with molecular formula C20H21NO3S and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene]acetaldehyde
Also Known As: Acetaldehyde, (1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)-, Acetaldehyde, 2-(1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)-, 2-(5-(Benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene)acetaldehyde, 2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene]acetaldehyde, (1-Ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)acetaldehyde
| Molecular Formula | C20H21NO3S |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.1242 |
| Heavy Atoms | 25 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 55203-66-2 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(C1=CC=O)(C)C |
| InChIKey | LJIRAJMFCLSDGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:551505 (CAS 55203-66-2), with molecular formula C20H21NO3S and molecular weight 355.12 g/mol. IUPAC: 2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene]acetaldehyde.
Chemical Property Profile of RefChem:551505
Property Insights of RefChem:551505
The XLogP value of 3.7 indicates that RefChem:551505 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:551505. Following Lipinski's Rule of Five, RefChem:551505 has 0 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 RefChem:551505?
The CAS number of RefChem:551505 is 55203-66-2.
What is the molecular formula of RefChem:551505?
The molecular formula of RefChem:551505 is C20H21NO3S.
What is the molecular weight of RefChem:551505?
The molecular weight of RefChem:551505 is 355.12 g/mol.
Where can I buy RefChem:551505?
You can request a quote for RefChem:551505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551505?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.