![1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate structure](/static/products/893/893754-77-3.png)
1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate
TL;DR: 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate (CAS 893754-77-3) is a chemical compound with molecular formula C20H18ClNO3 and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoate
Also Known As: 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate, Propan-2-yl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-prop-2-enoate, propan-2-yl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoate, Propan-2-yl 3-{2-[(2-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enoate
| Molecular Formula | C20H18ClNO3 |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 4.77758 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.09753 |
| Heavy Atoms | 25 |
| Complexity | 821.68616 |
Chemical Identifiers
| CAS Number | 893754-77-3 |
|---|---|
| SMILES | CC(C)OC(=O)C(=CC1=CC=CC=C1OCC2=CC=CC=C2Cl)C#N |
Product Overview
1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate (CAS 893754-77-3), with molecular formula C20H18ClNO3 and molecular weight 355.10 g/mol. IUPAC: propan-2-yl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoate.
Chemical Property Profile of 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate
Property Insights of 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate
The XLogP value of 4.77758 indicates that 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate 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 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate?
The CAS number of 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate is 893754-77-3.
What is the molecular formula of 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate?
The molecular formula of 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate is C20H18ClNO3.
What is the molecular weight of 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate?
The molecular weight of 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate is 355.10 g/mol.
Where can I buy 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate?
You can request a quote for 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 3-[2-[(2-chlorophenyl)methoxy]phenyl]-2-cyano-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.