1-萘乙酸
TL;DR: 1-萘乙酸 (CAS 86-87-3) is a chemical compound with molecular formula C12H10O2 and molecular weight 186.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-萘乙酸
2-naphthalen-1-ylacetic acid
Also Known As: 1-Naphthylacetic acid, 1-NAPHTHALENEACETIC ACID, Planofix, Phyomone, Transplantone
| Molecular Formula | C12H10O2 |
|---|---|
| Molecular Weight | 186.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.06808 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| Melting Point | 135 |
| Boiling Point | Decomposes |
| Solubility | 420 |
| Vapor Pressure | 0.0000159 [mmHg] |
Chemical Identifiers
| CAS Number | 86-87-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CC(=O)O |
| InChIKey | PRPINYUDVPFIRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-萘乙酸 (CAS 86-87-3), with molecular formula C12H10O2 and molecular weight 186.07 g/mol. IUPAC: 2-naphthalen-1-ylacetic acid.
Chemical Property Profile of 1-萘乙酸
Property Insights of 1-萘乙酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-萘乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 1-萘乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-萘乙酸 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 1-萘乙酸?
The CAS number of 1-萘乙酸 is 86-87-3.
What is the molecular formula of 1-萘乙酸?
The molecular formula of 1-萘乙酸 is C12H10O2.
What is the molecular weight of 1-萘乙酸?
The molecular weight of 1-萘乙酸 is 186.07 g/mol.
Where can I buy 1-萘乙酸?
You can request a quote for 1-萘乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-萘乙酸?
Yes, KEHONG BIO provides custom synthesis services for 1-萘乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.