苊-1-乙酸
TL;DR: 苊-1-乙酸 (CAS 7508-18-1) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苊-1-乙酸
2-(1,2-dihydroacenaphthylen-1-yl)acetic acid
Also Known As: 1-Acenaphtheneacetic acid, Acenaphthenessig, 1,2-dihydroacenaphthylen-1-ylacetic acid, 2-acenaphthenylacetic acid, 2-(1,2-dihydroacenaphthylen-1-yl)acetic acid
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.08372 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 7508-18-1 |
|---|---|
| SMILES | C1C(C2=CC=CC3=C2C1=CC=C3)CC(=O)O |
| InChIKey | SPKBPOIDADRUPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苊-1-乙酸 (CAS 7508-18-1), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: 2-(1,2-dihydroacenaphthylen-1-yl)acetic acid.
Chemical Property Profile of 苊-1-乙酸
Property Insights of 苊-1-乙酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苊-1-乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 苊-1-乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苊-1-乙酸 has 1 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 苊-1-乙酸?
The CAS number of 苊-1-乙酸 is 7508-18-1.
What is the molecular formula of 苊-1-乙酸?
The molecular formula of 苊-1-乙酸 is C14H12O2.
What is the molecular weight of 苊-1-乙酸?
The molecular weight of 苊-1-乙酸 is 212.08 g/mol.
Where can I buy 苊-1-乙酸?
You can request a quote for 苊-1-乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苊-1-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 苊-1-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.