![methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate structure](/static/products/4780/478081-06-0.webp)
methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate
TL;DR: methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate (CAS 478081-06-0) is a chemical compound with molecular formula C12H12ClF3N2O2 and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enoate
Also Known As: methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate, methyl (2Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate, methyl (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)-2-propenoate, methyl (Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate, Methyl (Z)-2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-3-(dimethylamino)acrylate
| Molecular Formula | C12H12ClF3N2O2 |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 2.8293 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.05392 |
| Heavy Atoms | 20 |
| Complexity | 541.99426 |
Chemical Identifiers
| CAS Number | 478081-06-0 |
|---|---|
| SMILES | CN(C)/C=C(/C1=C(C=C(C=N1)C(F)(F)F)Cl)\C(=O)OC |
Product Overview
methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate (CAS 478081-06-0), with molecular formula C12H12ClF3N2O2 and molecular weight 308.05 g/mol. IUPAC: methyl (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enoate.
Chemical Property Profile of methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate
Property Insights of methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate
The XLogP value of 2.8293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate. With a topological polar surface area (TPSA) of 42.43 Ų, methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate 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 methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate?
The CAS number of methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate is 478081-06-0.
What is the molecular formula of methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate?
The molecular formula of methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate is C12H12ClF3N2O2.
What is the molecular weight of methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate?
The molecular weight of methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate is 308.05 g/mol.
Where can I buy methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate?
You can request a quote for methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.