Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-
TL;DR: Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)- (CAS 39935-49-4) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-di(propan-2-yl)-2-(2,2,4,4-tetramethylpentanoyloxy)benzoic acid
Also Known As: 2-fluoro-3-methoxybenzeneboronic acid, Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-, 3,5-di(propan-2-yl)-2-[(2,2,4,4-tetramethylpentanoyl)oxy]benzoic acid, 3,5-Bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)benzoic acid, 3,5-di(propan-2-yl)-2-(2,2,4,4-tetramethylpentanoyloxy)benzoic acid
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 39935-49-4 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)C(=O)O)OC(=O)C(C)(C)CC(C)(C)C)C(C)C |
| InChIKey | NCBNWFVSFAWNBE-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)- (CAS 39935-49-4), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: 3,5-di(propan-2-yl)-2-(2,2,4,4-tetramethylpentanoyloxy)benzoic acid.
Chemical Property Profile of Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-
Property Insights of Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-
The XLogP value of 6.4 indicates that Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-. Following Lipinski's Rule of Five, Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-?
The CAS number of Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)- is 39935-49-4.
What is the molecular formula of Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-?
The molecular formula of Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)- is C22H34O4.
What is the molecular weight of Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-?
The molecular weight of Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)- is 362.25 g/mol.
Where can I buy Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-?
You can request a quote for Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.