[email protected]
CAS 17374-48-0 SALICYLIC ACID 4-NITROPHENYL ESTER molecular structure lightbox
CAS RN: 17374-48-0

SALICYLIC ACID 4-NITROPHENYL ESTER

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS17374-48-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

17374-48-0 / (4-nitrophenyl) 2-hydroxybenzoate

Standard CAS: 17374-48-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17374-48-0
Multi CAS
No
Molecular Formula
C13H9NO5
Molecular Weight
259.210000
Exact Mass
259.048072
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H9NO5/c15-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)14(17)18/h1-8,15H
InChIKey
XSTIAAYONYIWGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.16
TPSA
89.67

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
3.7
Consensus LogP
2.81
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Customers Also Viewed

Get In Touch

Contact Us