(E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate
TL;DR: (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate (CAS 369605-39-0) is a chemical compound with molecular formula C14H14ClN3O2 and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-[(5-chloro-1-prop-2-enyl-2-pyridinylidene)amino]-2-cyanoprop-2-enoate
Also Known As: (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate, ethyl (2E)-3-[((2E)-1-allyl-5-chloro-2(1H)-pyridinylidene)amino]-2-cyano-2-propenoate, ethyl (E)-3-[(5-chloro-1-prop-2-enylpyridin-2-ylidene)amino]-2-cyanoprop-2-enoate, ethyl (2E)-3-{[(2E)-5-chloro-1-(prop-2-en-1-yl)pyridin-2(1H)-ylidene]amino}-2-cyanoprop-2-enoate, ethyl (2E)-3-{[5-chloro-1-(prop-2-en-1-yl)-1,2-dihydropyridin-2-ylidene]amino}-2-cyanoprop-2-enoate
| Molecular Formula | C14H14ClN3O2 |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 2.19878 |
| Topological Polar Surface Area | 67.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.07745 |
| Heavy Atoms | 20 |
| Complexity | 638.5545 |
Chemical Identifiers
| CAS Number | 369605-39-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C/N=C1C=CC(=CN1CC=C)Cl)/C#N |
Product Overview
(E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate (CAS 369605-39-0), with molecular formula C14H14ClN3O2 and molecular weight 291.08 g/mol. IUPAC: ethyl (E)-3-[(5-chloro-1-prop-2-enyl-2-pyridinylidene)amino]-2-cyanoprop-2-enoate.
Chemical Property Profile of (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate
Property Insights of (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate
The XLogP value of 2.19878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate. The TPSA of 67.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate. Following Lipinski's Rule of Five, (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate has 0 hydrogen bond donor(s) and 4 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 (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate?
The CAS number of (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate is 369605-39-0.
What is the molecular formula of (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate?
The molecular formula of (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate is C14H14ClN3O2.
What is the molecular weight of (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate?
The molecular weight of (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate is 291.08 g/mol.
Where can I buy (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate?
You can request a quote for (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 3-((E)-(1-allyl-5-chloropyridin-2(1H)-ylidene)amino)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.