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CAS 73360-56-2 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide monohydrate molecular structure lightbox
CAS RN: 73360-56-2

5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide monohydrate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250601 1g In stock Shanghai Inquiry
Batchno.20260331 500mg In stock Shanghai, Shandong Inquiry
Batchno.20260610 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS73360-56-2
  • Purity/Analytical Methods: >99.0%
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73360-56-2 / 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide;hydrate

Standard CAS: 73360-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73360-56-2
Multi CAS
No
Molecular Formula
C13H10CL2N2O5
Molecular Weight
345.130000
Exact Mass
343.996677
InChI
InChI=1S/C13H8Cl2N2O4.H2O/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;/h1-6,18H,(H,16,19);1H2
InChIKey
ZBXRPLQCPHTHLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
82.79
TPSA
123.97

LogP / Solubility

WLOGP
3.03
MLOGP
2.69
XLogP3
3.03
Consensus LogP
2.92
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
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)
-2.67

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

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