2-Tert-butyl-3-indolizinecarbothialdehyde
TL;DR: 2-Tert-butyl-3-indolizinecarbothialdehyde (CAS 25365-63-3) is a chemical compound with molecular formula C13H15NS and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylindolizine-3-carbothialdehyde
Also Known As: 2-tert-butyl-3-indolizinecarbothialdehyde, 2-tert-butylindolizine-3-carbothialdehyde, AJ-797/11984005, 3-Indolizinecarbothioaldehyde, 2-(1,1-dimethylethyl)-
| Molecular Formula | C13H15NS |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 3.5846 |
| Topological Polar Surface Area | 4.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.09251 |
| Heavy Atoms | 15 |
| Complexity | 502.72058 |
Chemical Identifiers
| CAS Number | 25365-63-3 |
|---|---|
| SMILES | CC(C)(C)C1=C(N2C=CC=CC2=C1)C=S |
Product Overview
2-Tert-butyl-3-indolizinecarbothialdehyde (CAS 25365-63-3), with molecular formula C13H15NS and molecular weight 217.09 g/mol. IUPAC: 2-tert-butylindolizine-3-carbothialdehyde.
Chemical Property Profile of 2-Tert-butyl-3-indolizinecarbothialdehyde
Property Insights of 2-Tert-butyl-3-indolizinecarbothialdehyde
The XLogP value of 3.5846 indicates that 2-Tert-butyl-3-indolizinecarbothialdehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.41 Ų, 2-Tert-butyl-3-indolizinecarbothialdehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-3-indolizinecarbothialdehyde has 0 hydrogen bond donor(s) and 1 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 2-Tert-butyl-3-indolizinecarbothialdehyde?
The CAS number of 2-Tert-butyl-3-indolizinecarbothialdehyde is 25365-63-3.
What is the molecular formula of 2-Tert-butyl-3-indolizinecarbothialdehyde?
The molecular formula of 2-Tert-butyl-3-indolizinecarbothialdehyde is C13H15NS.
What is the molecular weight of 2-Tert-butyl-3-indolizinecarbothialdehyde?
The molecular weight of 2-Tert-butyl-3-indolizinecarbothialdehyde is 217.09 g/mol.
Where can I buy 2-Tert-butyl-3-indolizinecarbothialdehyde?
You can request a quote for 2-Tert-butyl-3-indolizinecarbothialdehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butyl-3-indolizinecarbothialdehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-3-indolizinecarbothialdehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.