RefChem:334944
TL;DR: RefChem:334944 (CAS 97720-34-8) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclobutyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Cyclobutyl-4-isopropylbicycloorthocarboxylate, Cyclobutaneorthocarboxylic acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-cyclobutyl-4-(1-methylethyl)-, 4-cyclobutyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane, 1-Cyclobutyl-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 97720-34-8 |
|---|---|
| SMILES | CC(C)C12COC(OC1)(OC2)C3CCC3 |
| InChIKey | HCTYKFGFWPXGJT-UHFFFAOYSA-N |
Product Overview
RefChem:334944 (CAS 97720-34-8), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: 1-cyclobutyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:334944
Property Insights of RefChem:334944
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:334944. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:334944 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:334944 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:334944?
The CAS number of RefChem:334944 is 97720-34-8.
What is the molecular formula of RefChem:334944?
The molecular formula of RefChem:334944 is C12H20O3.
What is the molecular weight of RefChem:334944?
The molecular weight of RefChem:334944 is 212.14 g/mol.
Where can I buy RefChem:334944?
You can request a quote for RefChem:334944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:334944?
Yes, KEHONG BIO provides custom synthesis services for RefChem:334944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.