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[(7-羟基-2-萘基)氧]乙酸
TL;DR: [(7-羟基-2-萘基)氧]乙酸 (CAS 72836-76-1) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7-羟基-2-萘基)氧]乙酸
2-(7-hydroxynaphthalen-2-yl)oxyacetic acid
Also Known As: Acetic acid, ((7-hydroxy-2-naphthalenyl)oxy)-, 2-(7-hydroxynaphthalen-2-yl)oxyacetic acid, Acetic acid, 2-[(7-hydroxy-2-naphthalenyl)oxy]-, [(7-HYDROXYNAPHTHALEN-2-YL)OXY]ACETIC ACID
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 72836-76-1 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CC(=C2)OCC(=O)O)O |
| InChIKey | RJQMLXWZVOGASW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(7-羟基-2-萘基)氧]乙酸 (CAS 72836-76-1), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 2-(7-hydroxynaphthalen-2-yl)oxyacetic acid.
Chemical Property Profile of [(7-羟基-2-萘基)氧]乙酸
Property Insights of [(7-羟基-2-萘基)氧]乙酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(7-羟基-2-萘基)氧]乙酸. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [(7-羟基-2-萘基)氧]乙酸. Following Lipinski's Rule of Five, [(7-羟基-2-萘基)氧]乙酸 has 2 hydrogen bond donor(s) and 4 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 [(7-羟基-2-萘基)氧]乙酸?
The CAS number of [(7-羟基-2-萘基)氧]乙酸 is 72836-76-1.
What is the molecular formula of [(7-羟基-2-萘基)氧]乙酸?
The molecular formula of [(7-羟基-2-萘基)氧]乙酸 is C12H10O4.
What is the molecular weight of [(7-羟基-2-萘基)氧]乙酸?
The molecular weight of [(7-羟基-2-萘基)氧]乙酸 is 218.06 g/mol.
Where can I buy [(7-羟基-2-萘基)氧]乙酸?
You can request a quote for [(7-羟基-2-萘基)氧]乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(7-羟基-2-萘基)氧]乙酸?
Yes, KEHONG BIO provides custom synthesis services for [(7-羟基-2-萘基)氧]乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.