![2-[(3S)-3-methylpentoxy]carbonylbenzoic acid structure](/static/products/718/71888-90-9.png)
2-[(3S)-3-methylpentoxy]carbonylbenzoic acid
TL;DR: 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid (CAS 71888-90-9) 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.
2-[(3S)-3-methylpentoxy]carbonylbenzoic acid
Also Known As: 1,2-Benzenedicarboxylic acid, mono-C6-8-branched alkyl esters, 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.9778 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 425.5571 |
Chemical Identifiers
| CAS Number | 71888-90-9 |
|---|---|
| SMILES | CC[C@H](C)CCOC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
2-[(3S)-3-methylpentoxy]carbonylbenzoic acid (CAS 71888-90-9), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid.
Chemical Property Profile of 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid
Property Insights of 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid
The XLogP value of 2.9778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid. Following Lipinski's Rule of Five, 2-[(3S)-3-methylpentoxy]carbonylbenzoic 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-[(3S)-3-methylpentoxy]carbonylbenzoic acid?
The CAS number of 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid is 71888-90-9.
What is the molecular formula of 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid?
The molecular formula of 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid is C14H18O4.
What is the molecular weight of 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid?
The molecular weight of 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid is 250.12 g/mol.
Where can I buy 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid?
You can request a quote for 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3S)-3-methylpentoxy]carbonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.