Pentanedioicacid,2-((3,5-bis -,dimethylester
TL;DR: Pentanedioicacid,2-((3,5-bis -,dimethylester (CAS 80099-80-5) is a chemical compound with molecular formula C22H34O5 and molecular weight 378.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentanedioate
Also Known As: Pentanedioicacid,2-((3,5-bis -,dimethylester, Pentanedioic acid, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)-, dimethyl ester, dimethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentanedioate, Dimethyl 2-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]pentanedioate, Pentanedioic acid, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dimethyl ester
| Molecular Formula | C22H34O5 |
|---|---|
| Molecular Weight | 378.24 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 378.24063 |
| Heavy Atoms | 27 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 80099-80-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(CCC(=O)OC)C(=O)OC |
| InChIKey | WIEBSMBCJXAJHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanedioicacid,2-((3,5-bis -,dimethylester (CAS 80099-80-5), with molecular formula C22H34O5 and molecular weight 378.24 g/mol. IUPAC: dimethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pentanedioate.
Chemical Property Profile of Pentanedioicacid,2-((3,5-bis -,dimethylester
Property Insights of Pentanedioicacid,2-((3,5-bis -,dimethylester
The XLogP value of 5.2 indicates that Pentanedioicacid,2-((3,5-bis -,dimethylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanedioicacid,2-((3,5-bis -,dimethylester. Following Lipinski's Rule of Five, Pentanedioicacid,2-((3,5-bis -,dimethylester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentanedioicacid,2-((3,5-bis -,dimethylester?
The CAS number of Pentanedioicacid,2-((3,5-bis -,dimethylester is 80099-80-5.
What is the molecular formula of Pentanedioicacid,2-((3,5-bis -,dimethylester?
The molecular formula of Pentanedioicacid,2-((3,5-bis -,dimethylester is C22H34O5.
What is the molecular weight of Pentanedioicacid,2-((3,5-bis -,dimethylester?
The molecular weight of Pentanedioicacid,2-((3,5-bis -,dimethylester is 378.24 g/mol.
Where can I buy Pentanedioicacid,2-((3,5-bis -,dimethylester?
You can request a quote for Pentanedioicacid,2-((3,5-bis -,dimethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedioicacid,2-((3,5-bis -,dimethylester?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioicacid,2-((3,5-bis -,dimethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.