RefChem:367013
TL;DR: RefChem:367013 (CAS 97719-95-4) is a chemical compound with molecular formula C17H21ClO3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-cyclohexyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 4-Cyclohexyl-4-(chlorophenyl)bicycloorthocarboxylate, Orthobenzoic acid, p-chloro-, cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-chlorophenyl)-4-cyclohexyl-, p-Chloroorthobenzoic acid cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol, 1-(4-Chlorophenyl)-4-cyclohexyl-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C17H21ClO3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.11792 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 97719-95-4 |
|---|---|
| SMILES | C1CCC(CC1)C23COC(OC2)(OC3)C4=CC=C(C=C4)Cl |
| InChIKey | LTCOJWZDVNSFSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:367013 (CAS 97719-95-4), with molecular formula C17H21ClO3 and molecular weight 308.12 g/mol. IUPAC: 1-(4-chlorophenyl)-4-cyclohexyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367013
Property Insights of RefChem:367013
The XLogP value of 4.4 indicates that RefChem:367013 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:367013 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367013 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:367013?
The CAS number of RefChem:367013 is 97719-95-4.
What is the molecular formula of RefChem:367013?
The molecular formula of RefChem:367013 is C17H21ClO3.
What is the molecular weight of RefChem:367013?
The molecular weight of RefChem:367013 is 308.12 g/mol.
Where can I buy RefChem:367013?
You can request a quote for RefChem:367013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367013?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.