![2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID structure](/static/products/1108/110826-67-0.webp)
2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID
TL;DR: 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID (CAS 110826-67-0) is a chemical compound with molecular formula C18H24O5 and molecular weight 320.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
Also Known As: 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID, Benzoic acid, 2-(((4-(1-hydroxy-1-methylethyl)-1-methyl-7-oxabicyclo(2.2.1)hept-2-yl)oxy)methyl)-, exo-, 2-({[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl]oxy}methyl)benzoic acid, 2-[[1-(2-hydroxypropan-2-yl)-4-methyl-7-oxabicyclo[2.2.1]hept-5-yl]oxymethyl]benzoic Acid, 2-[[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
| Molecular Formula | C18H24O5 |
|---|---|
| Molecular Weight | 320.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.16238 |
| Heavy Atoms | 23 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 110826-67-0 |
|---|---|
| SMILES | CC12CCC(O1)(CC2OCC3=CC=CC=C3C(=O)O)C(C)(C)O |
| InChIKey | HQJBFLRUMYGNNB-UHFFFAOYSA-N |
Product Overview
2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID (CAS 110826-67-0), with molecular formula C18H24O5 and molecular weight 320.16 g/mol. IUPAC: 2-[[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid.
Chemical Property Profile of 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID
Property Insights of 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID. Following Lipinski's Rule of Five, 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID has 2 hydrogen bond donor(s) and 5 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 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID?
The CAS number of 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID is 110826-67-0.
What is the molecular formula of 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID?
The molecular formula of 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID is C18H24O5.
What is the molecular weight of 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID?
The molecular weight of 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID is 320.16 g/mol.
Where can I buy 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID?
You can request a quote for 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}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 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 2-({[4-(2-HYDROXYPROPAN-2-YL)-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-YL]OXY}METHYL)BENZOIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.