![propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate structure](/static/products/304/304454-91-9.png)
propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate
TL;DR: propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate (CAS 304454-91-9) is a chemical compound with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[(4-chlorophenyl)methylideneamino]benzoate
Also Known As: propyl 4-[(4-chlorobenzylidene)amino]benzoate, propyl 4-[(4-chlorophenyl)methylideneamino]benzoate, propyl 4-[(1E)-2-(4-chlorophenyl)-1-azavinyl]benzoate, Benzoic acid, 4-(4-chlorobenzylidenamino)-, propyl ester, propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate
| Molecular Formula | C17H16ClNO2 |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.08694 |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 304454-91-9 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)Cl |
| InChIKey | HXPNTYMDDZWIHE-UHFFFAOYSA-N |
Product Overview
propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate (CAS 304454-91-9), with molecular formula C17H16ClNO2 and molecular weight 301.09 g/mol. IUPAC: propyl 4-[(4-chlorophenyl)methylideneamino]benzoate.
Chemical Property Profile of propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate
Property Insights of propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate
The XLogP value of 5.3 indicates that propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate?
The CAS number of propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate is 304454-91-9.
What is the molecular formula of propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate?
The molecular formula of propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate is C17H16ClNO2.
What is the molecular weight of propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate?
The molecular weight of propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate is 301.09 g/mol.
Where can I buy propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate?
You can request a quote for propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for propyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.