RefChem:335996
TL;DR: RefChem:335996 (CAS 97720-35-9) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopentyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Cyclopentyl-4-isopropylbicycloorthocarboxylate, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-cyclopentyl-4-(1-methylethyl)-, Cyclopentaneorthocarboxylic acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, 1-cyclopentyl-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane, 4-cyclopentyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 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 | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 97720-35-9 |
|---|---|
| SMILES | CC(C)C12COC(OC1)(OC2)C3CCCC3 |
| InChIKey | SEGPUWHDYYKOHF-UHFFFAOYSA-N |
Product Overview
RefChem:335996 (CAS 97720-35-9), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: 1-cyclopentyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:335996
Property Insights of RefChem:335996
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:335996. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:335996 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335996 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:335996?
The CAS number of RefChem:335996 is 97720-35-9.
What is the molecular formula of RefChem:335996?
The molecular formula of RefChem:335996 is C13H22O3.
What is the molecular weight of RefChem:335996?
The molecular weight of RefChem:335996 is 226.16 g/mol.
Where can I buy RefChem:335996?
You can request a quote for RefChem:335996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335996?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.