RefChem:367024
TL;DR: RefChem:367024 (CAS 97720-20-2) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-(4-Methylphenyl)-4-isopropylbicycloorthocarboxylate, Orthobenzoic acid, p-methyl-, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, p-Methylorthobenzoic acid cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1-methylethyl)-1-(4-methylphenyl)-, 1-(4-methylphenyl)-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 97720-20-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C(C)C |
| InChIKey | WSQOGCKFZSGVMC-UHFFFAOYSA-N |
Product Overview
RefChem:367024 (CAS 97720-20-2), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 1-(4-methylphenyl)-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367024
Property Insights of RefChem:367024
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367024. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:367024 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367024 has 0 hydrogen bond donor(s) and 3 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 RefChem:367024?
The CAS number of RefChem:367024 is 97720-20-2.
What is the molecular formula of RefChem:367024?
The molecular formula of RefChem:367024 is C15H20O3.
What is the molecular weight of RefChem:367024?
The molecular weight of RefChem:367024 is 248.14 g/mol.
Where can I buy RefChem:367024?
You can request a quote for RefChem:367024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367024?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.