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CAS 851175-91-2 3-AMINO-4-(DIMETHYLAMINO)BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 851175-91-2

3-AMINO-4-(DIMETHYLAMINO)BENZENESULFONAMIDE

  • Product code: SSC-193202
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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 851175-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

851175-91-2 / 3-amino-4-(dimethylamino)benzenesulfonamide

Standard CAS: 851175-91-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
851175-91-2
Multi CAS
No
Molecular Formula
C8H13N3O2S
Molecular Weight
215.280000
Exact Mass
215.072848
InChI
InChI=1S/C8H13N3O2S/c1-11(2)8-4-3-6(5-7(8)9)14(10,12)13/h3-5H,9H2,1-2H3,(H2,10,12,13)
InChIKey
PHVMXZQQFSAFPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.55
TPSA
89.42

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.01
XLogP3
-0.1
Consensus LogP
-0.04
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05

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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