4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate
TL;DR: 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate (CAS 72553-23-2) is a chemical compound with molecular formula C18H18O7 and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
Also Known As: 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate, EINECS 276-269-5, (4-formyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate, UPCMLD0ENAT5258560:001, Benzoic acid,3,4,5-trimethoxy-, 4-formyl-2-methoxyphenyl ester
| Molecular Formula | C18H18O7 |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.10526 |
| Heavy Atoms | 25 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 72553-23-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C=O)OC |
| InChIKey | HVTQNCJLDBFXOU-UHFFFAOYSA-N |
Product Overview
4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate (CAS 72553-23-2), with molecular formula C18H18O7 and molecular weight 346.11 g/mol. IUPAC: (4-formyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate
Property Insights of 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 7 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 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate?
The CAS number of 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate is 72553-23-2.
What is the molecular formula of 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate?
The molecular formula of 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate is C18H18O7.
What is the molecular weight of 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate?
The molecular weight of 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate is 346.11 g/mol.
Where can I buy 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate?
You can request a quote for 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.