5-苊甲酸
TL;DR: 5-苊甲酸 (CAS 55720-22-4) is a chemical compound with molecular formula C13H10O2 and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-苊甲酸
1,2-dihydroacenaphthylene-5-carboxylic acid
Also Known As: 5-Acenaphthenecarboxylic acid, 1,2-dihydroacenaphthylene-5-carboxylic acid, 5-Acenaphthoic acid, acenaphthene-5-carboxylic acid, Boc-D-Ile-OH
| Molecular Formula | C13H10O2 |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.06808 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 55720-22-4 |
|---|---|
| SMILES | C1CC2=CC=C(C3=CC=CC1=C23)C(=O)O |
| InChIKey | DXKAWGBIIVQFIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-苊甲酸 (CAS 55720-22-4), with molecular formula C13H10O2 and molecular weight 198.07 g/mol. IUPAC: 1,2-dihydroacenaphthylene-5-carboxylic acid.
Chemical Property Profile of 5-苊甲酸
Property Insights of 5-苊甲酸
The XLogP value of 3.5 indicates that 5-苊甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 5-苊甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-苊甲酸 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 5-苊甲酸?
The CAS number of 5-苊甲酸 is 55720-22-4.
What is the molecular formula of 5-苊甲酸?
The molecular formula of 5-苊甲酸 is C13H10O2.
What is the molecular weight of 5-苊甲酸?
The molecular weight of 5-苊甲酸 is 198.07 g/mol.
Where can I buy 5-苊甲酸?
You can request a quote for 5-苊甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-苊甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-苊甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.