RefChem:218487
TL;DR: RefChem:218487 (CAS 22014-02-4) is a chemical compound with molecular formula C22H32O5 and molecular weight 376.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedioate
Also Known As: diethyl 2-(3,5-di-t-butyl-4-hydroxybenzylidene)malonate, 1,3-diethyl 2-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]propanedioate, 1,3-Diethyl 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedioate, 2-(3,5-Ditert-butyl-4-hydroxybenzylidene)malonic acid diethyl ester, 2-(3,5-di-tert-butyl-4-hydroxy-benzylidene)-malonic acid diethyl ester
| Molecular Formula | C22H32O5 |
|---|---|
| Molecular Weight | 376.22 g/mol |
| LogP | 4.4968 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.22498 |
| Heavy Atoms | 27 |
| Complexity | 675.04565 |
Chemical Identifiers
| CAS Number | 22014-02-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OCC |
Product Overview
RefChem:218487 (CAS 22014-02-4), with molecular formula C22H32O5 and molecular weight 376.22 g/mol. IUPAC: diethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedioate.
Chemical Property Profile of RefChem:218487
Property Insights of RefChem:218487
The XLogP value of 4.4968 indicates that RefChem:218487 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:218487. Following Lipinski's Rule of Five, RefChem:218487 has 1 hydrogen bond donor(s) and 5 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:218487?
The CAS number of RefChem:218487 is 22014-02-4.
What is the molecular formula of RefChem:218487?
The molecular formula of RefChem:218487 is C22H32O5.
What is the molecular weight of RefChem:218487?
The molecular weight of RefChem:218487 is 376.22 g/mol.
Where can I buy RefChem:218487?
You can request a quote for RefChem:218487 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218487?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218487 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.