![2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid structure](/static/products/611/6114-64-3.png)
2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid
TL;DR: 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid (CAS 6114-64-3) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid
Also Known As: 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid, phthalicacidhydrogen1-[-1-methylheptyl]ester, 2-{[(2S)-octan-2-yloxy]carbonyl}benzoic acid, Phthalic acid hydrogen 1-[(1S)-1-methylheptyl] ester, (+)-Phthalic acid hydrogen 1-[(S)-1-methylheptyl] ester
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 3.9005 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 453.545 |
Chemical Identifiers
| CAS Number | 6114-64-3 |
|---|---|
| SMILES | CCCCCC[C@H](C)OC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid (CAS 6114-64-3), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid.
Chemical Property Profile of 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid
Property Insights of 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid
The XLogP value of 3.9005 indicates that 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid 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 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid. Following Lipinski's Rule of Five, 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid has 1 hydrogen bond donor(s) and 3 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-[(2S)-octan-2-yl]oxycarbonylbenzoic acid?
The CAS number of 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid is 6114-64-3.
What is the molecular formula of 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid?
The molecular formula of 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid is C16H22O4.
What is the molecular weight of 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid?
The molecular weight of 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid is 278.15 g/mol.
Where can I buy 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid?
You can request a quote for 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2S)-octan-2-yl]oxycarbonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.