3,3'-(1,3-Phenylene) dipropiolic acid
TL;DR: 3,3'-(1,3-Phenylene) dipropiolic acid (CAS 4843-46-3) is a chemical compound with molecular formula C12H6O4 and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-carboxyethynyl)phenyl]prop-2-ynoic acid
Also Known As: m-Phenylenedipropiolic acid, 1,3-phenylenedipropynoic acid, 3,3'-(1,3-phenylene) dipropiolic acid, 3-[3-(2-carboxyethynyl)phenyl]prop-2-ynoic Acid, 2-Propynoic acid, 3,3'-(1,3-phenylene)bis- (en)
| Molecular Formula | C12H6O4 |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 0.5588 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.02661 |
| Heavy Atoms | 16 |
| Complexity | 502.3571 |
Chemical Identifiers
| CAS Number | 4843-46-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C#CC(=O)O)C#CC(=O)O |
Product Overview
3,3'-(1,3-Phenylene) dipropiolic acid (CAS 4843-46-3), with molecular formula C12H6O4 and molecular weight 214.03 g/mol. IUPAC: 3-[3-(2-carboxyethynyl)phenyl]prop-2-ynoic acid.
Chemical Property Profile of 3,3'-(1,3-Phenylene) dipropiolic acid
Property Insights of 3,3'-(1,3-Phenylene) dipropiolic acid
The XLogP value of 0.5588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(1,3-Phenylene) dipropiolic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(1,3-Phenylene) dipropiolic acid. Following Lipinski's Rule of Five, 3,3'-(1,3-Phenylene) dipropiolic acid has 2 hydrogen bond donor(s) and 2 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 3,3'-(1,3-Phenylene) dipropiolic acid?
The CAS number of 3,3'-(1,3-Phenylene) dipropiolic acid is 4843-46-3.
What is the molecular formula of 3,3'-(1,3-Phenylene) dipropiolic acid?
The molecular formula of 3,3'-(1,3-Phenylene) dipropiolic acid is C12H6O4.
What is the molecular weight of 3,3'-(1,3-Phenylene) dipropiolic acid?
The molecular weight of 3,3'-(1,3-Phenylene) dipropiolic acid is 214.03 g/mol.
Where can I buy 3,3'-(1,3-Phenylene) dipropiolic acid?
You can request a quote for 3,3'-(1,3-Phenylene) dipropiolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(1,3-Phenylene) dipropiolic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(1,3-Phenylene) dipropiolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.