RefChem:367014
TL;DR: RefChem:367014 (CAS 97719-94-3) is a chemical compound with molecular formula C16H19ClO3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-cyclopentyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 4-Cyclopentyl-1-(4-chlorophenyl)bicycloorthocarboxylate, Orthobenzoic acid, p-chloro-, cyclic ester with 2-cyclopentyl-2-(hydroxymethyl)-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-chlorophenyl)-4-cyclopentyl-, p-Chloroorthobenzoic acid cyclic ester with 2-cyclopentyl-2-(hydroxymethyl)-1,3-propanediol, 1-(4-Chlorophenyl)-4-cyclopentyl-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C16H19ClO3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.10226 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 97719-94-3 |
|---|---|
| SMILES | C1CCC(C1)C23COC(OC2)(OC3)C4=CC=C(C=C4)Cl |
| InChIKey | WGCBPIAYXGNYHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:367014 (CAS 97719-94-3), with molecular formula C16H19ClO3 and molecular weight 294.10 g/mol. IUPAC: 1-(4-chlorophenyl)-4-cyclopentyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367014
Property Insights of RefChem:367014
The XLogP value of 3.8 indicates that RefChem:367014 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:367014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367014 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:367014?
The CAS number of RefChem:367014 is 97719-94-3.
What is the molecular formula of RefChem:367014?
The molecular formula of RefChem:367014 is C16H19ClO3.
What is the molecular weight of RefChem:367014?
The molecular weight of RefChem:367014 is 294.10 g/mol.
Where can I buy RefChem:367014?
You can request a quote for RefChem:367014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367014?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.