Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate
TL;DR: Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate (CAS 116159-02-5) is a chemical compound with molecular formula C25H32O6 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate
Also Known As: diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate, diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate (
| Molecular Formula | C25H32O6 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 4.52398 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.21988 |
| Heavy Atoms | 31 |
| Complexity | 850.4629 |
Chemical Identifiers
| CAS Number | 116159-02-5 |
|---|---|
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C1=CC(=C(C(=C1)C)O)C)C2=CC(=C(C(=C2)C)O)C |
Product Overview
Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate (CAS 116159-02-5), with molecular formula C25H32O6 and molecular weight 428.22 g/mol. IUPAC: diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate.
Chemical Property Profile of Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate
Property Insights of Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate
The XLogP value of 4.52398 indicates that Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate. Following Lipinski's Rule of Five, Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate has 2 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 Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate?
The CAS number of Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate is 116159-02-5.
What is the molecular formula of Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate?
The molecular formula of Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate is C25H32O6.
What is the molecular weight of Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate?
The molecular weight of Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate is 428.22 g/mol.
Where can I buy Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate?
You can request a quote for Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3,3-bis(4-hydroxy-3,5-dimethylphenyl)pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.