RefChem:367040
TL;DR: RefChem:367040 (CAS 97720-30-4) is a chemical compound with molecular formula C14H26O3 and molecular weight 242.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-pentyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Pentyl-4-tert-butylbicycloorthocarboxylate, Orthohexanoic acid, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1,1-dimethylethyl)-1-pentyl-, 1-tert-butyl-4-pentyl-3,5,8-trioxabicyclo[2.2.2]octane, 4-TERT-BUTYL-1-PENTYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
| Molecular Formula | C14H26O3 |
|---|---|
| Molecular Weight | 242.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.1882 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 97720-30-4 |
|---|---|
| SMILES | CCCCCC12OCC(CO1)(CO2)C(C)(C)C |
| InChIKey | IKGUVTCMGYMATF-UHFFFAOYSA-N |
Product Overview
RefChem:367040 (CAS 97720-30-4), with molecular formula C14H26O3 and molecular weight 242.19 g/mol. IUPAC: 4-tert-butyl-1-pentyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367040
Property Insights of RefChem:367040
The XLogP value of 3.6 indicates that RefChem:367040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:367040 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367040 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:367040?
The CAS number of RefChem:367040 is 97720-30-4.
What is the molecular formula of RefChem:367040?
The molecular formula of RefChem:367040 is C14H26O3.
What is the molecular weight of RefChem:367040?
The molecular weight of RefChem:367040 is 242.19 g/mol.
Where can I buy RefChem:367040?
You can request a quote for RefChem:367040 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367040?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.