4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide
TL;DR: 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide (CAS 351332-12-2) is a chemical compound with molecular formula C15H21N3O2S and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide
Also Known As: BAS 04887232, 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide, 4-(benzo[d][1,3]dioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide, 4-Benzo[1,3]dioxol-5-ylmethyl-piperazine-1-carbothioic acid ethylamide, [4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl](ethylamino)methane-1-t hione
| Molecular Formula | C15H21N3O2S |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.13544 |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 351332-12-2 |
|---|---|
| SMILES | CCNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | DLAGDHPOWIYYQJ-UHFFFAOYSA-N |
Product Overview
4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide (CAS 351332-12-2), with molecular formula C15H21N3O2S and molecular weight 307.14 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide.
Chemical Property Profile of 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide
Property Insights of 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 4 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)-N-ethylpiperazine-1-carbothioamide?
The CAS number of 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide is 351332-12-2.
What is the molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide?
The molecular formula of 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide is C15H21N3O2S.
What is the molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide?
The molecular weight of 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide is 307.14 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide?
You can request a quote for 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide 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)-N-ethylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.