![methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate structure](/static/products/4778/477888-11-2.webp)
methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate
TL;DR: methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate (CAS 477888-11-2) is a chemical compound with molecular formula C17H12ClF3N2O4 and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
Also Known As: methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate, methyl 3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enoate
| Molecular Formula | C17H12ClF3N2O4 |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 4.1085 |
| Topological Polar Surface Area | 69.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.04376 |
| Heavy Atoms | 27 |
| Complexity | 915.5369 |
Chemical Identifiers
| CAS Number | 477888-11-2 |
|---|---|
| SMILES | COC(=O)C(=CNC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate (CAS 477888-11-2), with molecular formula C17H12ClF3N2O4 and molecular weight 400.04 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate.
Chemical Property Profile of methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate
Property Insights of methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate
The XLogP value of 4.1085 indicates that methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate. Following Lipinski's Rule of Five, methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate 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 methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate?
The CAS number of methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate is 477888-11-2.
What is the molecular formula of methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate?
The molecular formula of methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate is C17H12ClF3N2O4.
What is the molecular weight of methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate?
The molecular weight of methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate is 400.04 g/mol.
Where can I buy methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate?
You can request a quote for methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (Z)-3-(1,3-benzodioxol-5-ylamino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.