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Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate
TL;DR: Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate (CAS 1194761-35-7) is a chemical compound with molecular formula C17H16ClNO2 and molecular weight 301.08694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(4-chlorophenyl)methylideneamino]-3-phenylpropanoate
Also Known As: methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate, J1.609.598B, methyl 2-[(E)-[(4-chlorophenyl)methylidene]amino]-3-phenylpropanoate, 12G-928, methyl 2-[(4-chlorophenyl)methylideneamino]-3-phenylpropanoate
Technical Specifications
| Molecular Formula | C17H16ClNO2 |
| Molecular Weight | 301.08694 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.08694 Da |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
| SMILES | COC(=O)C(CC1=CC=CC=C1)N=CC2=CC=C(C=C2)Cl |
| InChIKey | KCAWLBQPKIIOAP-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate
Property Insights of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate
The XLogP value of 4.2 indicates that Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate?
The CAS number of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate is 1194761-35-7.
What is the molecular formula of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate?
The molecular formula of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate is C17H16ClNO2.
What is the molecular weight of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate?
The molecular weight of Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate is 301.08694 g/mol.
Where can I buy Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate?
You can request a quote for Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-{[(4-chlorophenyl)methylene]amino}-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.