邻苯二甲酸单(2-乙基丁基)酯
TL;DR: 邻苯二甲酸单(2-乙基丁基)酯 (CAS 91401-46-6) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二甲酸单(2-乙基丁基)酯
2-(2-ethylbutoxycarbonyl)benzoic acid
Also Known As: Mono-2-ethylbutyl phthalate, 2-(2-ethylbutoxycarbonyl)benzoic Acid, 2-Ethylbutyl hydrogen phthalate, Phthalic acid, mono(2-ethylbutyl) ester, Phthalic acid, mono-2-ethylbutyl ester
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 91401-46-6 |
|---|---|
| SMILES | CCC(CC)COC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | XSLWVQWUWZGQNV-UHFFFAOYSA-N |
Product Overview
邻苯二甲酸单(2-乙基丁基)酯 (CAS 91401-46-6), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 2-(2-ethylbutoxycarbonyl)benzoic acid.
Chemical Property Profile of 邻苯二甲酸单(2-乙基丁基)酯
Property Insights of 邻苯二甲酸单(2-乙基丁基)酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻苯二甲酸单(2-乙基丁基)酯. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻苯二甲酸单(2-乙基丁基)酯. Following Lipinski's Rule of Five, 邻苯二甲酸单(2-乙基丁基)酯 has 1 hydrogen bond donor(s) and 4 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 邻苯二甲酸单(2-乙基丁基)酯?
The CAS number of 邻苯二甲酸单(2-乙基丁基)酯 is 91401-46-6.
What is the molecular formula of 邻苯二甲酸单(2-乙基丁基)酯?
The molecular formula of 邻苯二甲酸单(2-乙基丁基)酯 is C14H18O4.
What is the molecular weight of 邻苯二甲酸单(2-乙基丁基)酯?
The molecular weight of 邻苯二甲酸单(2-乙基丁基)酯 is 250.12 g/mol.
Where can I buy 邻苯二甲酸单(2-乙基丁基)酯?
You can request a quote for 邻苯二甲酸单(2-乙基丁基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸单(2-乙基丁基)酯?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸单(2-乙基丁基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.