![2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde structure](/static/products/866/866040-49-5.png)
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde
TL;DR: 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde (CAS 866040-49-5) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
Also Known As: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde, 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1,3-thiazole-5-carbaldehyde, 5W-0832, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]thiazole-5-carbaldehyde
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.0065 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 710.34607 |
Chemical Identifiers
| CAS Number | 866040-49-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=C(S4)C=O |
Product Overview
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde (CAS 866040-49-5), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde.
Chemical Property Profile of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde
Property Insights of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde
The XLogP value of 2.0065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde. With a topological polar surface area (TPSA) of 54.9 Ų, 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde has 0 hydrogen bond donor(s) and 7 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-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde?
The CAS number of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde is 866040-49-5.
What is the molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde?
The molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde is C16H17N3O3S.
What is the molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde?
The molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde is 331.10 g/mol.
Where can I buy 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde?
You can request a quote for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]-1,3-thiazole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.