CAS RN: 73584-59-5
1-(1-HYDROXY-4-METHOXY-NAPHTHALEN-2-YL)-ETHANONE
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.20250612 | 500mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS73584-59-5
- Purity/Analytical Methods: >99.0%
73584-59-5 / 1-(1-hydroxy-4-methoxynaphthalen-2-yl)ethanone
Basic Information
CAS
73584-59-5
Multi CAS
No
Molecular Formula
C13H12O3
Molecular Weight
216.230000
Exact Mass
216.078644
InChI
InChI=1S/C13H12O3/c1-8(14)11-7-12(16-2)9-5-3-4-6-10(9)13(11)15/h3-7,15H,1-2H3
InChIKey
QJSWNSVBYZKFSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.17
TPSA
46.53
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
3
Consensus LogP
2.73
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
27-p-Coumaroyloxyursolic acid
- CAS RN: 73584-67-5
- Product Code: starshine_CAS73584-67-5
- Purity/Analytical method: >99.0%
-
-
Amoxicillin EP Impurity J
- CAS RN: 73590-06-4
- Product Code: starshine_CAS73590-06-4
- Purity/Analytical method: >99.0%
-
3-Pyridinecarboxylicacid,5-(1-methylethyl)-(9CI)
- CAS RN: 73591-69-2
- Product Code: SSC-183018
-
-
