4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester
TL;DR: 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester (CAS 96765-39-8) is a chemical compound with molecular formula C26H30O8 and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxylate
Also Known As: tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxylate, tert-Butyl 4-hydroxy-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-2-naphthoate, 4-HO-6,7-DIMETHOXY-1-(TRIMETHOXY-PH)-NAPHTHALENE-2-CARBOXYLIC ACID TERT-BU ESTER, 684-915-6, RefChem:523617
| Molecular Formula | C26H30O8 |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.19406 |
| Heavy Atoms | 34 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 96765-39-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=C(C2=CC(=C(C=C2C(=C1)O)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | IJFSYMFPIMKLTN-UHFFFAOYSA-N |
Product Overview
4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester (CAS 96765-39-8), with molecular formula C26H30O8 and molecular weight 470.19 g/mol. IUPAC: tert-butyl 4-hydroxy-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxylate.
Chemical Property Profile of 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester
Property Insights of 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester
The XLogP value of 5.1 indicates that 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester. Following Lipinski's Rule of Five, 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester?
The CAS number of 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester is 96765-39-8.
What is the molecular formula of 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester?
The molecular formula of 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester is C26H30O8.
What is the molecular weight of 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester?
The molecular weight of 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester is 470.19 g/mol.
Where can I buy 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester?
You can request a quote for 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester?
Yes, KEHONG BIO provides custom synthesis services for 4-HO-6,7-Dimethoxy-1-(trimethoxy-PH)-naphthalene-2-carboxylic acid tert-BU ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.