![4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid structure](/static/products/100/1005117-06-5.png)
4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid
TL;DR: 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid (CAS 1005117-06-5) is a chemical compound with molecular formula C26H30O5 and molecular weight 422.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl]benzoic acid
Also Known As: 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid, 4-((2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy)methyl)benzoic acid, 4-[[2-methoxy-4-(2,4,9-trimethyl-7-oxabicyclo[3.3.1]non-3-en-6-yl)phenoxy]methyl]benzoic acid, 4-[[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)phenoxy]methyl]benzoic Acid
| Molecular Formula | C26H30O5 |
|---|---|
| Molecular Weight | 422.21 g/mol |
| LogP | 5.5082 |
| Topological Polar Surface Area | 64.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.20932 |
| Heavy Atoms | 31 |
| Complexity | 977.7919 |
Chemical Identifiers
| CAS Number | 1005117-06-5 |
|---|---|
| SMILES | CC1C=C(C2C(C1COC2C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OC)C)C |
Product Overview
4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid (CAS 1005117-06-5), with molecular formula C26H30O5 and molecular weight 422.21 g/mol. IUPAC: 4-[[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl]benzoic acid.
Chemical Property Profile of 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid
Property Insights of 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid
The XLogP value of 5.5082 indicates that 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid?
The CAS number of 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid is 1005117-06-5.
What is the molecular formula of 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid?
The molecular formula of 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid is C26H30O5.
What is the molecular weight of 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid?
The molecular weight of 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid is 422.21 g/mol.
Where can I buy 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid?
You can request a quote for 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.