![4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium structure](/static/products/709/70918-00-2.png)
4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium
TL;DR: 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium (CAS 70918-00-2) is a chemical compound with molecular formula C13H17N2O3+ and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-4-ium-1-ylmethanone
Also Known As: N-(1,4-Benzodioxan)-2-carbonyl piperazine, 4-(2,3-Dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-ium, 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium, [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-4-ium-1-ylmethanone
| Molecular Formula | C13H17N2O3+ |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | -0.768 |
| Topological Polar Surface Area | 55.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.12392 |
| Heavy Atoms | 18 |
| Complexity | 443.61743 |
Chemical Identifiers
| CAS Number | 70918-00-2 |
|---|---|
| SMILES | C1CN(CC[NH2+]1)C(=O)[C@@H]2COC3=CC=CC=C3O2 |
Product Overview
4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium (CAS 70918-00-2), with molecular formula C13H17N2O3+ and molecular weight 249.12 g/mol. IUPAC: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-4-ium-1-ylmethanone.
Chemical Property Profile of 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium
Property Insights of 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium
The XLogP value of -0.768 indicates that 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.38 Ų, 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium has 1 hydrogen bond donor(s) and 3 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 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium?
The CAS number of 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium is 70918-00-2.
What is the molecular formula of 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium?
The molecular formula of 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium is C13H17N2O3+.
What is the molecular weight of 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium?
The molecular weight of 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium is 249.12 g/mol.
Where can I buy 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium?
You can request a quote for 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2S)-2,3-dihydro-1,4-benzodioxine-2-carbonyl]piperazin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.