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CAS 59923-19-2 4-(3-NITRO-BENZENESULFONYLAMINO)-BENZOIC ACID molecular structure lightbox
CAS RN: 59923-19-2

4-(3-NITRO-BENZENESULFONYLAMINO)-BENZOIC ACID

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260205 100mg In stock Inquiry
Batchno.20250923 10mg In stock Inquiry
Batchno.20250223 25mg In stock Inquiry
Batchno.20260120 50mg In stock Inquiry
Batchno.20260618 5mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS59923-19-2
  • Purity/Analytical Methods: >99.0%
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59923-19-2 / 4-[(3-nitrophenyl)sulfonylamino]benzoic acid

Standard CAS: 59923-19-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
59923-19-2
Multi CAS
No
Molecular Formula
C13H10N2O6S
Molecular Weight
322.300000
Exact Mass
322.025957
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O6S/c16-13(17)9-4-6-10(7-5-9)14-22(20,21)12-3-1-2-11(8-12)15(18)19/h1-8,14H,(H,16,17)
InChIKey
CXOGYGMKNVZTHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.31
TPSA
126.61

LogP / Solubility

WLOGP
2.09
MLOGP
1.86
XLogP3
2.3
Consensus LogP
2.08
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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