![dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate structure](/static/products/7082/708279-56-5.webp)
dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate
TL;DR: dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate (CAS 708279-56-5) is a chemical compound with molecular formula C23H25N3O6S and molecular weight 471.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate, dimethyl 5-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)benzene-1,3-dicarboxylate, DIMETHYL 5-({[4-(1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZINO]CARBOTHIOYL}AMINO)ISOPHTHALATE, dimethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate, methyl 5-({[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]thioxomethyl }amino)-3-(methoxycarbonyl)benzoate
| Molecular Formula | C23H25N3O6S |
|---|---|
| Molecular Weight | 471.15 g/mol |
| LogP | 2.5031 |
| Topological Polar Surface Area | 89.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.1464 |
| Heavy Atoms | 33 |
| Complexity | 1033.9075 |
Chemical Identifiers
| CAS Number | 708279-56-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC |
Product Overview
dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate (CAS 708279-56-5), with molecular formula C23H25N3O6S and molecular weight 471.15 g/mol. IUPAC: dimethyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate
Property Insights of dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate
The XLogP value of 2.5031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate. The TPSA of 89.57 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate has 1 hydrogen bond donor(s) and 8 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 dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate?
The CAS number of dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate is 708279-56-5.
What is the molecular formula of dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate?
The molecular formula of dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate is C23H25N3O6S.
What is the molecular weight of dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate?
The molecular weight of dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate is 471.15 g/mol.
Where can I buy dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate?
You can request a quote for dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbothioamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.