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CAS 10558-45-9 N-(4-amino-2-chlorophenyl)-5-chloro-2-hydroxybenzamide molecular structure lightbox
CAS RN: 10558-45-9

N-(4-amino-2-chlorophenyl)-5-chloro-2-hydroxybenzamide

  • Product code: SSC-007286
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10558-45-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

10558-45-9 / N-(4-amino-2-chlorophenyl)-5-chloro-2-hydroxybenzamide

N-(4-amino-2-chlorophenyl)-5-chloro-2-hydroxybenzamide | RC2TY4XLP7 | 2',5-dichloro-4'-aminosalicylanilide

Standard CAS: 10558-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10558-45-9
Multi CAS
No
Molecular Formula
C13H10Cl2N2O2
Molecular Weight
297.130000
Exact Mass
296.011933
SMILES
C1=CC(=C(C=C1N)Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C13H10Cl2N2O2/c14-7-1-4-12(18)9(5-7)13(19)17-11-3-2-8(16)6-10(11)15/h1-6,18H,16H2,(H,17,19)
InChIKey
UTLJGBYDUIOYNG-UHFFFAOYSA-N
Synonyms
N-(4-amino-2-chlorophenyl)-5-chloro-2-hydroxybenzamide RC2TY4XLP7 2',5-dichloro-4'-aminosalicylanilide Benzamide, N-(4-amino-2-chlorophenyl)-5-chloro-2-hydroxy- DTXSID60354278

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
76.93
TPSA
75.35

LogP / Solubility

WLOGP
3.53
MLOGP
3.12
XLogP3
3.5
Consensus LogP
3.38
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02

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

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