Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate
TL;DR: Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate (CAS 623176-87-4) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
penta-2,4-diynyl 3,5-dihydroxybenzoate
Also Known As: 2,4-Pentadiyn-1-yl 3,5-dihydroxybenzoate, Penta-2,4-diynyl 3,5-dihydroxybenzoate, Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate, J1.967.010D, 3,5-Dihydroxybenzoic acid 2,4-pentadiynyl ester
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 0.8912 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 479.72565 |
Chemical Identifiers
| CAS Number | 623176-87-4 |
|---|---|
| SMILES | C#CC#CCOC(=O)C1=CC(=CC(=C1)O)O |
Product Overview
Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate (CAS 623176-87-4), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: penta-2,4-diynyl 3,5-dihydroxybenzoate.
Chemical Property Profile of Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate
Property Insights of Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate
The XLogP value of 0.8912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate. Following Lipinski's Rule of Five, Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate has 2 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 Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate?
The CAS number of Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate is 623176-87-4.
What is the molecular formula of Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate?
The molecular formula of Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate is C12H8O4.
What is the molecular weight of Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate?
The molecular weight of Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate is 216.04 g/mol.
Where can I buy Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate?
You can request a quote for Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Penta-2,4-diyn-1-yl 3,5-dihydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.