![2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde structure](/static/products/4780/478065-52-0.webp)
2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde
TL;DR: 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde (CAS 478065-52-0) is a chemical compound with molecular formula C21H21NOS and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]quinoline-3-carbaldehyde
Also Known As: 2-{[4-(tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde, 2-[(4-tert-butylphenyl)methylsulfanyl]quinoline-3-carbaldehyde, 2-{[(4-tert-butylphenyl)methyl]sulfanyl}quinoline-3-carbaldehyde, 6R-1176, 2-{[4-(t-Butyl)benZyl]sulfanyl}-3-quinolinecarbaldehyde
| Molecular Formula | C21H21NOS |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 5.6371 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.1344 |
| Heavy Atoms | 24 |
| Complexity | 863.1363 |
Chemical Identifiers
| CAS Number | 478065-52-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C=C2C=O |
Product Overview
2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde (CAS 478065-52-0), with molecular formula C21H21NOS and molecular weight 335.13 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]quinoline-3-carbaldehyde.
Chemical Property Profile of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde
Property Insights of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde
The XLogP value of 5.6371 indicates that 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde 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 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde?
The CAS number of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde is 478065-52-0.
What is the molecular formula of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde?
The molecular formula of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde is C21H21NOS.
What is the molecular weight of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde?
The molecular weight of 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde is 335.13 g/mol.
Where can I buy 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde?
You can request a quote for 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Tert-butyl)benzyl]sulfanyl}-3-quinolinecarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.