RefChem:367012
TL;DR: RefChem:367012 (CAS 97719-91-0) is a chemical compound with molecular formula C15H19ClO3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-1-(4-chlorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 4-Butyl-1-(4-chlorophenyl)bicycloorthocarboxylate, Orthobenzoic acid, p-chloro-, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-(4-chlorophenyl)-, p-Chloroorthobenzoic acid cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol, 1-butyl-4-(4-chlorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C15H19ClO3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.10226 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 97719-91-0 |
|---|---|
| SMILES | CCCCC12COC(OC1)(OC2)C3=CC=C(C=C3)Cl |
| InChIKey | FVPOTPXWFCCIHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:367012 (CAS 97719-91-0), with molecular formula C15H19ClO3 and molecular weight 282.10 g/mol. IUPAC: 4-butyl-1-(4-chlorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367012
Property Insights of RefChem:367012
The XLogP value of 3.6 indicates that RefChem:367012 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:367012 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367012 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:367012?
The CAS number of RefChem:367012 is 97719-91-0.
What is the molecular formula of RefChem:367012?
The molecular formula of RefChem:367012 is C15H19ClO3.
What is the molecular weight of RefChem:367012?
The molecular weight of RefChem:367012 is 282.10 g/mol.
Where can I buy RefChem:367012?
You can request a quote for RefChem:367012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367012?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.