Allenolic acid
TL;DR: Allenolic acid (CAS 553-39-9) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-hydroxynaphthalen-2-yl)propanoic acid
Also Known As: Allenolic acid, allenolicacid, 6-Hydroxy-2-naphthalenepropanoic acid, 3-(6-hydroxynaphthalen-2-yl)propanoic acid, 2-Naphthalenepropanoic acid, 6-hydroxy-
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 553-39-9 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2)O)C=C1CCC(=O)O |
| InChIKey | NHGXZNWPADXVOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allenolic acid (CAS 553-39-9), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: 3-(6-hydroxynaphthalen-2-yl)propanoic acid.
Chemical Property Profile of Allenolic acid
Property Insights of Allenolic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allenolic acid. With a topological polar surface area (TPSA) of 57.5 Ų, Allenolic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allenolic 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 Allenolic acid?
The CAS number of Allenolic acid is 553-39-9.
What is the molecular formula of Allenolic acid?
The molecular formula of Allenolic acid is C13H12O3.
What is the molecular weight of Allenolic acid?
The molecular weight of Allenolic acid is 216.08 g/mol.
Where can I buy Allenolic acid?
You can request a quote for Allenolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allenolic acid?
Yes, KEHONG BIO provides custom synthesis services for Allenolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.