CAS RN: 135-62-6
3-Hydroxy-2′-methoxy-2-naphthanilide
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251022 | 100g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20251230 | 1kg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250426 | 25g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250404 | 500g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: ICTH0317
- Purity/Analytical Methods: >98.0%(T)(HPLC)
135-62-6 / 3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
Basic Information
CAS
135-62-6
Multi CAS
No
Molecular Formula
C18H15NO3
Molecular Weight
293.300000
Exact Mass
293.105193
SMILES
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)
InChIKey
AQYMRQUYPFCXDM-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
86.56
TPSA
58.56
LogP / Solubility
WLOGP
3.81
MLOGP
3.36
XLogP3
4.2
Consensus LogP
3.79
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
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)
-1.81
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
H315 (72.4%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (22.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (72.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (72.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H411 (25.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
