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CAS 379725-41-4 3,4-DIAMINO-N-(2-METHOXY-PHENYL)-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 379725-41-4

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

  • Product code: SSC-145423
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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 379725-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

379725-41-4 / 3,4-diamino-N-(2-methoxyphenyl)benzenesulfonamide

Standard CAS: 379725-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
379725-41-4
Multi CAS
No
Molecular Formula
C13H15N3O3S
Molecular Weight
293.340000
Exact Mass
293.083413
InChI
InChI=1S/C13H15N3O3S/c1-19-13-5-3-2-4-12(13)16-20(17,18)9-6-7-10(14)11(15)8-9/h2-8,16H,14-15H2,1H3
InChIKey
ADBXIRYZQXIXOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
79.07
TPSA
107.44

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
0.9
Consensus LogP
1.34
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

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
1.5

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