CAS RN: 39487-54-2
1-((DIMETHYLAMINO)(PHENYL)METHYL)NAPHTHALEN-2-OL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS39487-54-2
- Purity/Analytical Methods: >99.0%
39487-54-2 / 1-[dimethylamino(phenyl)methyl]naphthalen-2-ol
Basic Information
CAS
39487-54-2
Multi CAS
No
Molecular Formula
C19H19NO
Molecular Weight
277.400000
Exact Mass
277.146664
InChI
InChI=1S/C19H19NO/c1-20(2)19(15-9-4-3-5-10-15)18-16-11-7-6-8-14(16)12-13-17(18)21/h3-13,19,21H,1-2H3
InChIKey
SOHOMVZGRJOXDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
87.58
TPSA
23.47
LogP / Solubility
WLOGP
4.2
MLOGP
3.7
XLogP3
4.3
Consensus LogP
4.07
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
4-Chloro-3-nitro-8-(trifluoromethyl)quinoline
- CAS RN: 39487-89-3
- Product Code: SSC-147137
-
2-(2,4-Dichlorophenoxy)-1-(1-piperidyl)ethanone
- CAS RN: 39489-66-2
- Product Code: SSC-147138
-
-
-
-
Phenamacril
- CAS RN: 39491-78-6
- Product Code: starshine_CAS39491-78-6
- Purity/Analytical method: >99.0%
