RefChem:366994
TL;DR: RefChem:366994 (CAS 97720-22-4) is a chemical compound with molecular formula C15H18Cl2O3 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-(3,4-dichlorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-(3,4-Dichlorophenyl)-4-tert-butylbicycloorthocarboxylate, Orthobenzoic acid, 3,4-dichloro-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(3,4-dichlorophenyl)-4-(1,1-dimethylethyl)-, 1-tert-butyl-4-(3,4-dichlorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane, 4-tert-Butyl-1-(3,4-dichlorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C15H18Cl2O3 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0633 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 97720-22-4 |
|---|---|
| SMILES | CC(C)(C)C12COC(OC1)(OC2)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | IGIVPHZQIIYYDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:366994 (CAS 97720-22-4), with molecular formula C15H18Cl2O3 and molecular weight 316.06 g/mol. IUPAC: 4-tert-butyl-1-(3,4-dichlorophenyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:366994
Property Insights of RefChem:366994
The XLogP value of 4.0 indicates that RefChem:366994 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:366994 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:366994 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:366994?
The CAS number of RefChem:366994 is 97720-22-4.
What is the molecular formula of RefChem:366994?
The molecular formula of RefChem:366994 is C15H18Cl2O3.
What is the molecular weight of RefChem:366994?
The molecular weight of RefChem:366994 is 316.06 g/mol.
Where can I buy RefChem:366994?
You can request a quote for RefChem:366994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:366994?
Yes, KEHONG BIO provides custom synthesis services for RefChem:366994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.