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CAS 13664-49-8 N-HYDROXY-4-METHOXY-N-PHENYL-BENZAMIDE molecular structure lightbox
CAS RN: 13664-49-8

N-HYDROXY-4-METHOXY-N-PHENYL-BENZAMIDE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260612 50mg / 250mg / 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS13664-49-8
  • Purity/Analytical Methods: >99.0%
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13664-49-8 / N-hydroxy-4-methoxy-N-phenylbenzamide

Standard CAS: 13664-49-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13664-49-8
Multi CAS
No
Molecular Formula
C14H13NO3
Molecular Weight
243.260000
Exact Mass
243.089543
SMILES
COC1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)O
InChI
InChI=1S/C14H13NO3/c1-18-13-9-7-11(8-10-13)14(16)15(17)12-5-3-2-4-6-12/h2-10,17H,1H3
InChIKey
IMEJZBWBEXZVNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.03
TPSA
49.77

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.4
Consensus LogP
2.51
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501

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