RefChem:561870
TL;DR: RefChem:561870 (CAS 68912-03-8) is a chemical compound with molecular formula C27H30N2O2S and molecular weight 446.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-ethyl-2-methylindol-3-yl)-(4-methylphenyl)sulfonylmethyl]-N,N-dimethylaniline
Also Known As: Benzenamine, 4-[(1-ethyl-2-methyl-1H-indol-3-yl)[(4-methylphenyl)sulfonyl]methyl]-N,N-dimethyl-, N,N-Dimethyl-4-(alpha-(1-ethyl-2-methylindol-3-yl)((4-methylphenyl)sulfonyl)methyl)benzenamine, Benzenamine, 4-((1-ethyl-2-methyl-1H-indol-3-yl)((4-methylphenyl)sulfonyl)methyl)-N,N-dimethyl-, 4-{(1-ethyl-2-methyl-1h-indol-3-yl)[(4-methylphenyl)sulfonyl]methyl}-n,n-dimethylaniline, 4-[(1-ethyl-2-methyl-1H-indol-3-yl)(4-methylbenzenesulfonyl)methyl]-N,N-dimethylaniline
| Molecular Formula | C27H30N2O2S |
|---|---|
| Molecular Weight | 446.20 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.2028 |
| Heavy Atoms | 32 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 68912-03-8 |
|---|---|
| SMILES | CCN1C(=C(C2=CC=CC=C21)C(C3=CC=C(C=C3)N(C)C)S(=O)(=O)C4=CC=C(C=C4)C)C |
| InChIKey | WRJIKPUORUQVCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:561870 (CAS 68912-03-8), with molecular formula C27H30N2O2S and molecular weight 446.20 g/mol. IUPAC: 4-[(1-ethyl-2-methylindol-3-yl)-(4-methylphenyl)sulfonylmethyl]-N,N-dimethylaniline.
Chemical Property Profile of RefChem:561870
Property Insights of RefChem:561870
The XLogP value of 5.6 indicates that RefChem:561870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, RefChem:561870 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:561870 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:561870?
The CAS number of RefChem:561870 is 68912-03-8.
What is the molecular formula of RefChem:561870?
The molecular formula of RefChem:561870 is C27H30N2O2S.
What is the molecular weight of RefChem:561870?
The molecular weight of RefChem:561870 is 446.20 g/mol.
Where can I buy RefChem:561870?
You can request a quote for RefChem:561870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:561870?
Yes, KEHONG BIO provides custom synthesis services for RefChem:561870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.