1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-
TL;DR: 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis- (CAS 400608-33-5) is a chemical compound with molecular formula C14H10O4 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3,5-dihydroxyphenyl)ethynyl]benzene-1,3-diol
Also Known As: 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-, 5,5 -(1,2-Ethynediyl)bisresorcinol, 5-[2-(3,5-dihydroxyphenyl)ethynyl]benzene-1,3-diol, 1,3-Benzenediol,5,5'-(1,2-ethynediyl)bis, J2.259.073A
| Molecular Formula | C14H10O4 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 1.9088 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.0579 |
| Heavy Atoms | 18 |
| Complexity | 554.57404 |
Chemical Identifiers
| CAS Number | 400608-33-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1O)O)C#CC2=CC(=CC(=C2)O)O |
Product Overview
1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis- (CAS 400608-33-5), with molecular formula C14H10O4 and molecular weight 242.06 g/mol. IUPAC: 5-[2-(3,5-dihydroxyphenyl)ethynyl]benzene-1,3-diol.
Chemical Property Profile of 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-
Property Insights of 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-
The XLogP value of 1.9088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-. The TPSA of 80.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-. Following Lipinski's Rule of Five, 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis- has 4 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 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-?
The CAS number of 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis- is 400608-33-5.
What is the molecular formula of 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-?
The molecular formula of 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis- is C14H10O4.
What is the molecular weight of 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-?
The molecular weight of 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis- is 242.06 g/mol.
Where can I buy 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-?
You can request a quote for 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 5,5'-(1,2-ethynediyl)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.