2-(1-萘甲酰基)苯甲酸
TL;DR: 2-(1-萘甲酰基)苯甲酸 (CAS 5018-87-1) is a chemical compound with molecular formula C18H12O3 and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-萘甲酰基)苯甲酸
2-(naphthalene-1-carbonyl)benzoic acid
Also Known As: 2-(1-Naphthoyl)benzoic acid, 2-(naphthalene-1-carbonyl)benzoic acid, o-n-benzoic acid, 2-(Naphthoyl)benzoic acid, Benzoic acid, o-1-naphthoyl-
| Molecular Formula | C18H12O3 |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.07864 |
| Heavy Atoms | 21 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 5018-87-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CC=CC=C3C(=O)O |
| InChIKey | OXCYAVHGYGKEJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-萘甲酰基)苯甲酸 (CAS 5018-87-1), with molecular formula C18H12O3 and molecular weight 276.08 g/mol. IUPAC: 2-(naphthalene-1-carbonyl)benzoic acid.
Chemical Property Profile of 2-(1-萘甲酰基)苯甲酸
Property Insights of 2-(1-萘甲酰基)苯甲酸
The XLogP value of 4.0 indicates that 邻-(1-萘甲酰基)苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(1-萘甲酰基)苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻-(1-萘甲酰基)苯甲酸 has 1 hydrogen bond donor(s) and 3 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 邻-(1-萘甲酰基)苯甲酸?
The CAS number of 邻-(1-萘甲酰基)苯甲酸 is 5018-87-1.
What is the molecular formula of 邻-(1-萘甲酰基)苯甲酸?
The molecular formula of 邻-(1-萘甲酰基)苯甲酸 is C18H12O3.
What is the molecular weight of 邻-(1-萘甲酰基)苯甲酸?
The molecular weight of 邻-(1-萘甲酰基)苯甲酸 is 276.08 g/mol.
Where can I buy 邻-(1-萘甲酰基)苯甲酸?
You can request a quote for 邻-(1-萘甲酰基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻-(1-萘甲酰基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 邻-(1-萘甲酰基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.