CAS RN: 613669-18-4
2-(1-Naphthalenyloxy)-Benzoic Acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260120 | 100mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS613669-18-4
- Purity/Analytical Methods: >99.0%
613669-18-4 / 2-naphthalen-1-yloxybenzoic acid
Basic Information
CAS
613669-18-4
Multi CAS
No
Molecular Formula
C17H12O3
Molecular Weight
264.270000
Exact Mass
264.078644
InChI
InChI=1S/C17H12O3/c18-17(19)14-9-3-4-10-16(14)20-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,18,19)
InChIKey
UHYMCGZSUOMOPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
77.42
TPSA
46.53
LogP / Solubility
WLOGP
4.33
MLOGP
3.82
XLogP3
4.4
Consensus LogP
4.18
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 613677-28-4 Benzamide, 2,4,6-trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/613677-28-4.gif)
