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CAS 325724-69-4 3-AMINO-4-CHLORO-N-(2-CHLORO-PHENYL)-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 325724-69-4

3-AMINO-4-CHLORO-N-(2-CHLORO-PHENYL)-BENZENESULFONAMIDE

  • Product code: SSC-138183
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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: 0.25g
  • 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 325724-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

325724-69-4 / 3-amino-4-chloro-N-(2-chlorophenyl)benzenesulfonamide

Standard CAS: 325724-69-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
325724-69-4
Multi CAS
No
Molecular Formula
C12H10CL2N2O2S
Molecular Weight
317.200000
Exact Mass
315.984004
InChI
InChI=1S/C12H10Cl2N2O2S/c13-9-6-5-8(7-11(9)15)19(17,18)16-12-4-2-1-3-10(12)14/h1-7,16H,15H2
InChIKey
VSCICOOOPVMZCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.12
TPSA
72.19

LogP / Solubility

WLOGP
3.38
MLOGP
2.99
XLogP3
2.6
Consensus LogP
2.99
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
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
Yes
Synthetic Accessibility
1.5

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