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CAS 326023-07-8 3,4-DIAMINO-N-(2-CHLORO-PHENYL)-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 326023-07-8

3,4-DIAMINO-N-(2-CHLORO-PHENYL)-BENZENESULFONAMIDE

  • Product code: SSC-138246
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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 326023-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

326023-07-8 / 3,4-diamino-N-(2-chlorophenyl)benzenesulfonamide

Standard CAS: 326023-07-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
326023-07-8
Multi CAS
No
Molecular Formula
C12H12CLN3O2S
Molecular Weight
297.760000
Exact Mass
297.033876
InChI
InChI=1S/C12H12ClN3O2S/c13-9-3-1-2-4-12(9)16-19(17,18)8-5-6-10(14)11(15)7-8/h1-7,16H,14-15H2
InChIKey
AOGHWVVQPRDCSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
77.53
TPSA
98.21

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
1.3
Consensus LogP
1.88
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

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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