1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate
TL;DR: 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate (CAS 861209-85-0) is a chemical compound with molecular formula C26H27ClO5 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl] 4-chlorobenzoate
Also Known As: [1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl] 4-chlorobenzoate|2W-0016|1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate|1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzoate|1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl4-chlorobenzoate
| Molecular Formula | C26H27ClO5 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 6.20512 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.1547 |
| Heavy Atoms | 32 |
| Complexity | 1019.81244 |
Chemical Identifiers
| CAS Number | 861209-85-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CCC2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate (CAS 861209-85-0), with molecular formula C26H27ClO5 and molecular weight 454.15 g/mol. IUPAC: [1-(4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl] 4-chlorobenzoate.
Chemical Property Profile of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate
Property Insights of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate
The XLogP value of 6.20512 indicates that 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate?
The CAS number of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate is 861209-85-0.
What is the molecular formula of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate?
The molecular formula of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate is C26H27ClO5.
What is the molecular weight of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate?
The molecular weight of 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate is 454.15 g/mol.
Where can I buy 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate?
You can request a quote for 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-3-(3,4,5-trimethoxyphenyl)propyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.