1-萘甲酸
TL;DR: 1-萘甲酸 (CAS 86-55-5) is a chemical compound with molecular formula C11H8O2 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-萘甲酸
naphthalene-1-carboxylic acid
Also Known As: 1-NAPHTHOIC ACID, 1-Naphthalenecarboxylic acid, NAPHTHOIC ACID, naphthalene-1-carboxylic acid, alpha-Naphthoic acid
| Molecular Formula | C11H8O2 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.05243 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 86-55-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)O |
| InChIKey | LNETULKMXZVUST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-萘甲酸 (CAS 86-55-5), with molecular formula C11H8O2 and molecular weight 172.05 g/mol. IUPAC: naphthalene-1-carboxylic acid.
Chemical Property Profile of 1-萘甲酸
Property Insights of 1-萘甲酸
The XLogP value of 3.1 indicates that 1-萘甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-萘甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-萘甲酸 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 1-萘甲酸?
The CAS number of 1-萘甲酸 is 86-55-5.
What is the molecular formula of 1-萘甲酸?
The molecular formula of 1-萘甲酸 is C11H8O2.
What is the molecular weight of 1-萘甲酸?
The molecular weight of 1-萘甲酸 is 172.05 g/mol.
Where can I buy 1-萘甲酸?
You can request a quote for 1-萘甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-萘甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-萘甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.