2-(((2-乙酰基己基)氧基)羰基)苯甲酸
TL;DR: 2-(((2-乙酰基己基)氧基)羰基)苯甲酸 (CAS 88144-82-5) is a chemical compound with molecular formula C16H20O5 and molecular weight 292.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(((2-乙酰基己基)氧基)羰基)苯甲酸
2-(2-acetylhexoxycarbonyl)benzoic acid
Also Known As: 2-(2-acetylhexoxycarbonyl)benzoic Acid, 2-(((2-Acetylhexyl)oxy)carbonyl)benzoic acid, 2-{[(2-acetylhexyl)oxy]carbonyl}benzoic acid, Mono-2-(1-oxoethyl)hexyl Phthalate, 1,2-Benzenedicarboxylic acid, 1-(2-acetylhexyl) ester
| Molecular Formula | C16H20O5 |
|---|---|
| Molecular Weight | 292.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 292.13107 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 88144-82-5 |
|---|---|
| SMILES | CCCCC(COC(=O)C1=CC=CC=C1C(=O)O)C(=O)C |
| InChIKey | KMODWYGCVMNDCL-UHFFFAOYSA-N |
Product Overview
2-(((2-乙酰基己基)氧基)羰基)苯甲酸 (CAS 88144-82-5), with molecular formula C16H20O5 and molecular weight 292.13 g/mol. IUPAC: 2-(2-acetylhexoxycarbonyl)benzoic acid.
Chemical Property Profile of 2-(((2-乙酰基己基)氧基)羰基)苯甲酸
Property Insights of 2-(((2-乙酰基己基)氧基)羰基)苯甲酸
The XLogP value of 3.0 indicates that 2-(((2-乙酰基己基)氧基)羰基)苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((2-乙酰基己基)氧基)羰基)苯甲酸. Following Lipinski's Rule of Five, 2-(((2-乙酰基己基)氧基)羰基)苯甲酸 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 2-(((2-乙酰基己基)氧基)羰基)苯甲酸?
The CAS number of 2-(((2-乙酰基己基)氧基)羰基)苯甲酸 is 88144-82-5.
What is the molecular formula of 2-(((2-乙酰基己基)氧基)羰基)苯甲酸?
The molecular formula of 2-(((2-乙酰基己基)氧基)羰基)苯甲酸 is C16H20O5.
What is the molecular weight of 2-(((2-乙酰基己基)氧基)羰基)苯甲酸?
The molecular weight of 2-(((2-乙酰基己基)氧基)羰基)苯甲酸 is 292.13 g/mol.
Where can I buy 2-(((2-乙酰基己基)氧基)羰基)苯甲酸?
You can request a quote for 2-(((2-乙酰基己基)氧基)羰基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((2-乙酰基己基)氧基)羰基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2-乙酰基己基)氧基)羰基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.