CAS RN: 135-61-5
3-Hydroxy-2′-methyl-2-naphthanilide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260604 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: ICTH0315
- Purity/Analytical Methods: >97.0%(HPLC)
135-61-5 / 3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
Basic Information
CAS
135-61-5
Multi CAS
No
Molecular Formula
C18H15NO2
Molecular Weight
277.300000
Exact Mass
277.110279
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C18H15NO2/c1-12-6-2-5-9-16(12)19-18(21)15-10-13-7-3-4-8-14(13)11-17(15)20/h2-11,20H,1H3,(H,19,21)
InChIKey
FBLAHUMENIHUGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
84.75
TPSA
49.33
LogP / Solubility
WLOGP
4.11
MLOGP
3.62
XLogP3
4.6
Consensus LogP
4.11
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (83.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H400 (15%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (15%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H411 (83.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501
