methanone structure](/static/products/3496/349620-29-7.webp)
[4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone
TL;DR: [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone (CAS 349620-29-7) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone
Also Known As: Maybridge2_000758, MixCom4_000151, IDI1_001895, [4-(1,3-benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 349620-29-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CS4 |
| InChIKey | BPUKGOGZLOIVQU-UHFFFAOYSA-N |
Product Overview
[4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone (CAS 349620-29-7), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone
Property Insights of [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone. Following Lipinski's Rule of Five, [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone has 0 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone?
The CAS number of [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone is 349620-29-7.
What is the molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone?
The molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone is C17H18N2O3S.
What is the molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone?
The molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone is 330.10 g/mol.
Where can I buy [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone?
You can request a quote for [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-Benzodioxol-5-ylmethyl)piperazino](2-thienyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.