ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate
TL;DR: ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate (CAS 61383-42-4) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate
Also Known As: ethyl 3-[(3,4-methylenedioxyphenyl)amino]-2-cyanopropenoate
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 1.79778 |
| Topological Polar Surface Area | 80.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 560.2519 |
Chemical Identifiers
| CAS Number | 61383-42-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C\NC1=CC2=C(C=C1)OCO2)/C#N |
Product Overview
ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate (CAS 61383-42-4), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate.
Chemical Property Profile of ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate
Property Insights of ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate
The XLogP value of 1.79778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate. The TPSA of 80.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate has 1 hydrogen bond donor(s) and 6 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 ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate?
The CAS number of ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate is 61383-42-4.
What is the molecular formula of ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate?
The molecular formula of ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate is C13H12N2O4.
What is the molecular weight of ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate?
The molecular weight of ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate is 260.08 g/mol.
Where can I buy ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate?
You can request a quote for ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.