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CAS 135-63-7 5′-Chloro-3-hydroxy-2′-methyl-2-naphthanilide molecular structure lightbox
CAS RN: 135-63-7

5′-Chloro-3-hydroxy-2′-methyl-2-naphthanilide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250509 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: ICTC2102
  • Purity/Analytical Methods: >96.0%(N)
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135-63-7 / N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide

Standard CAS: 135-63-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
135-63-7
Multi CAS
No
Molecular Formula
C18H14ClNO2
Molecular Weight
311.800000
Exact Mass
311.071306
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O
InChI
InChI=1S/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22)
InChIKey
XZOACPDZZYNJER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
89.76
TPSA
49.33

LogP / Solubility

WLOGP
4.76
MLOGP
4.2
XLogP3
5.2
Consensus LogP
4.72
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24

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 (11.4%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (88.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (88.6%): Very toxic to aquatic life with long lasting effects [Warning 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

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