![CAS 219897-32-2 1-[amino(phenyl)methyl]-2-naphthol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/219897-32-2.gif)
CAS RN: 219897-32-2
1-[amino(phenyl)methyl]-2-naphthol
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS219897-32-2
- Purity/Analytical Methods: >99.0%
219897-32-2 / 1-[amino(phenyl)methyl]naphthalen-2-ol;hydrochloride
Basic Information
CAS
219897-32-2
Multi CAS
No
Molecular Formula
C17H16ClNO
Molecular Weight
285.800000
Exact Mass
285.092042
SMILES
C1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)N.Cl
InChI
InChI=1S/C17H15NO.ClH/c18-17(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-15(16)19;/h1-11,17,19H,18H2;1H
InChIKey
PRQUQNDKNZOGPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
85.33
TPSA
46.25
LogP / Solubility
WLOGP
4.02
MLOGP
3.54
XLogP3
4.02
Consensus LogP
3.86
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
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)
-1.61
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
2
Customers Also Viewed
-
MPEP HYDROCHLORIDE
- CAS RN: 219911-35-0
- Product Code: starshine_CAS219911-35-0
- Purity/Analytical method: >99.0%
-
-
“5,8,9,14-Tetraacetoxy-3-benzoyloxy-10,15-dihydroxypepluane”
- CAS RN: 219916-77-5
- Product Code: starshine_CAS219916-77-5
- Purity/Analytical method: >99.0%
-
5-AMINO-2-(1-PYRROLIDINYL)BENZONITRILE
- CAS RN: 219921-68-3
- Product Code: starshine_CAS219921-68-3
- Purity/Analytical method: >99.0%
-
-
![CAS 21991-39-9 3-Methyl-1H-iMidazo[4,5-b]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21991-39-9.gif)
