![methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate structure](/static/products/820/820977-00-2.png)
methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate
TL;DR: methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate (CAS 820977-00-2) is a chemical compound with molecular formula C13H12N2O7 and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate
Also Known As: methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate, METHYL 2-(3-(6-NITROBENZO[3,4-D]1,3-DIOXOLEN-5-YL)PROP-2-ENOYLAMINO)ACETATE, Methyl 2-[3-(6-nitrobenzo[1,3]dioxol-5-yl)prop-2-enoylamino]acetate
| Molecular Formula | C13H12N2O7 |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 0.6259 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.06445 |
| Heavy Atoms | 22 |
| Complexity | 654.0339 |
Chemical Identifiers
| CAS Number | 820977-00-2 |
|---|---|
| SMILES | COC(=O)CNC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
Product Overview
methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate (CAS 820977-00-2), with molecular formula C13H12N2O7 and molecular weight 308.06 g/mol. IUPAC: methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate.
Chemical Property Profile of methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate
Property Insights of methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate
The XLogP value of 0.6259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate. Following Lipinski's Rule of Five, methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate has 1 hydrogen bond donor(s) and 7 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 methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate?
The CAS number of methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate is 820977-00-2.
What is the molecular formula of methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate?
The molecular formula of methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate is C13H12N2O7.
What is the molecular weight of methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate?
The molecular weight of methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate is 308.06 g/mol.
Where can I buy methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate?
You can request a quote for methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.