4-Hydroxy-4,4-diphenylbut-2-ynoic acid
TL;DR: 4-Hydroxy-4,4-diphenylbut-2-ynoic acid (CAS 29262-25-7) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4,4-diphenylbut-2-ynoic acid
Also Known As: 4-hydroxy-4,4-diphenylbut-2-ynoic acid, CHEMBRDG-BB5118935, CHEMBRDG-BB 5118935, 4-Hydroxy-4,4-diphenyl-2-butynoic acid, 4-hydroxy-4,4-diphenyl-but-2-ynoic acid
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 29262-25-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#CC(=O)O)(C2=CC=CC=C2)O |
| InChIKey | KIUSZYPTAAVLGF-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-4,4-diphenylbut-2-ynoic acid (CAS 29262-25-7), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 4-hydroxy-4,4-diphenylbut-2-ynoic acid.
Chemical Property Profile of 4-Hydroxy-4,4-diphenylbut-2-ynoic acid
Property Insights of 4-Hydroxy-4,4-diphenylbut-2-ynoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4,4-diphenylbut-2-ynoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hydroxy-4,4-diphenylbut-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-4,4-diphenylbut-2-ynoic acid has 2 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 4-Hydroxy-4,4-diphenylbut-2-ynoic acid?
The CAS number of 4-Hydroxy-4,4-diphenylbut-2-ynoic acid is 29262-25-7.
What is the molecular formula of 4-Hydroxy-4,4-diphenylbut-2-ynoic acid?
The molecular formula of 4-Hydroxy-4,4-diphenylbut-2-ynoic acid is C16H12O3.
What is the molecular weight of 4-Hydroxy-4,4-diphenylbut-2-ynoic acid?
The molecular weight of 4-Hydroxy-4,4-diphenylbut-2-ynoic acid is 252.08 g/mol.
Where can I buy 4-Hydroxy-4,4-diphenylbut-2-ynoic acid?
You can request a quote for 4-Hydroxy-4,4-diphenylbut-2-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4,4-diphenylbut-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4,4-diphenylbut-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.