2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid
TL;DR: 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid (CAS 175205-32-0) is a chemical compound with molecular formula C14H12O4 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hex-4-en-1-yn-3-yloxycarbonylbenzoic acid
Also Known As: 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid, 2-[[(1-ETH-1-YNYLBUT-2-ENYL)OXY]CARBONYL]BENZOIC ACID, 2-{[(Hex-4-en-1-yn-3-yl)oxy]carbonyl}benzoic acid, 1,2-Benzenedicarboxylicacid, 1-(1-ethynyl-2-buten-1-yl) ester, 2-{[(1-eth-1-ynylbut-2-enyl)oxy]carbonyl}benzoic acid
| Molecular Formula | C14H12O4 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.1195 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.07356 |
| Heavy Atoms | 18 |
| Complexity | 522.8407 |
Chemical Identifiers
| CAS Number | 175205-32-0 |
|---|---|
| SMILES | CC=CC(C#C)OC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid (CAS 175205-32-0), with molecular formula C14H12O4 and molecular weight 244.07 g/mol. IUPAC: 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic acid.
Chemical Property Profile of 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid
Property Insights of 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid
The XLogP value of 2.1195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid. Following Lipinski's Rule of Five, 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic 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-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid?
The CAS number of 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid is 175205-32-0.
What is the molecular formula of 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid?
The molecular formula of 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid is C14H12O4.
What is the molecular weight of 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid?
The molecular weight of 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid is 244.07 g/mol.
Where can I buy 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid?
You can request a quote for 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-hex-4-en-1-yn-3-yloxycarbonylbenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.