![3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate structure](/static/products/8585/85851-95-2.webp)
3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate
TL;DR: 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate (CAS 85851-95-2) is a chemical compound with molecular formula C33H44N2O10 and molecular weight 628.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate
Also Known As: 3-Methylbutyl 2,3-dihydro-8-[2-hydroxy-3-[4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-1-piperazinyl]propoxy]-1,4-benzodioxin-5-carboxylate
| Molecular Formula | C33H44N2O10 |
|---|---|
| Molecular Weight | 628.30 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 628.2996 |
| Heavy Atoms | 45 |
| Complexity | 928.0 |
Chemical Identifiers
| CAS Number | 85851-95-2 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC)O)OCCO2 |
| InChIKey | BYACLYDBJDQHHY-UHFFFAOYSA-N |
Product Overview
3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate (CAS 85851-95-2), with molecular formula C33H44N2O10 and molecular weight 628.30 g/mol. IUPAC: 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate.
Chemical Property Profile of 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate
Property Insights of 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate
The XLogP value of 3.8 indicates that 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate. Following Lipinski's Rule of Five, 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate?
The CAS number of 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate is 85851-95-2.
What is the molecular formula of 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate?
The molecular formula of 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate is C33H44N2O10.
What is the molecular weight of 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate?
The molecular weight of 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate is 628.30 g/mol.
Where can I buy 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate?
You can request a quote for 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbutyl 5-[2-hydroxy-3-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]propoxy]-2,3-dihydro-1,4-benzodioxine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.