RefChem:1078963
TL;DR: RefChem:1078963 (CAS 58344-22-2) is a chemical compound with molecular formula C23H24O6 and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-yl] 2-acetyloxybenzoate
Also Known As: D 439, 3-(1,3-Benzodioxol-5-yl)-1-(1,1-dimethylethyl)-2-propenyl 2-(acetyloxy)benzoate, Benzoic acid, 2-(acetyloxy)-, 3-(1,3-benzodioxol-5-yl)-1-(1,1-dimethylethyl)-2-propenyl ester, [(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-yl] 2-acetyloxybenzoate
| Molecular Formula | C23H24O6 |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 4.6255 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.1573 |
| Heavy Atoms | 29 |
| Complexity | 938.6245 |
Chemical Identifiers
| CAS Number | 58344-22-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC(/C=C/C2=CC3=C(C=C2)OCO3)C(C)(C)C |
Product Overview
RefChem:1078963 (CAS 58344-22-2), with molecular formula C23H24O6 and molecular weight 396.16 g/mol. IUPAC: [(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-yl] 2-acetyloxybenzoate.
Chemical Property Profile of RefChem:1078963
Property Insights of RefChem:1078963
The XLogP value of 4.6255 indicates that RefChem:1078963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078963. Following Lipinski's Rule of Five, RefChem:1078963 has 0 hydrogen bond donor(s) and 6 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:1078963?
The CAS number of RefChem:1078963 is 58344-22-2.
What is the molecular formula of RefChem:1078963?
The molecular formula of RefChem:1078963 is C23H24O6.
What is the molecular weight of RefChem:1078963?
The molecular weight of RefChem:1078963 is 396.16 g/mol.
Where can I buy RefChem:1078963?
You can request a quote for RefChem:1078963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078963?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.