1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde
TL;DR: 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde (CAS 63254-08-0) is a chemical compound with molecular formula C10H13NOS and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-2-sulfanylidenepyridine-3-carbaldehyde
Also Known As: 1-sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde, 1-butan-2-yl-2-sulfanylidenepyridine-3-carbaldehyde, AE-411/41415636, 1-(methylpropyl)-2-thioxohydropyridine-3-carbaldehyde, 1-(sec-Butyl)-2-thioxo-1,2-dihydropyridine-3-carbaldehyde
| Molecular Formula | C10H13NOS |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 3.00109 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0718 |
| Heavy Atoms | 13 |
| Complexity | 356.18753 |
Chemical Identifiers
| CAS Number | 63254-08-0 |
|---|---|
| SMILES | CCC(C)N1C=CC=C(C1=S)C=O |
Product Overview
1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde (CAS 63254-08-0), with molecular formula C10H13NOS and molecular weight 195.07 g/mol. IUPAC: 1-butan-2-yl-2-sulfanylidenepyridine-3-carbaldehyde.
Chemical Property Profile of 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde
Property Insights of 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde
The XLogP value of 3.00109 indicates that 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde has 0 hydrogen bond donor(s) and 2 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-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde?
The CAS number of 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde is 63254-08-0.
What is the molecular formula of 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde?
The molecular formula of 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde is C10H13NOS.
What is the molecular weight of 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde?
The molecular weight of 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde is 195.07 g/mol.
Where can I buy 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde?
You can request a quote for 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-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-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Sec-butyl-2-thioxo-1,2-dihydropyridine-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.