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CAS 6837-92-9 3-AMINO-N,N-DIETHYL-4-HYDROXY-BENZENESULFONAMIDE molecular structure lightbox
CAS RN: 6837-92-9

3-AMINO-N,N-DIETHYL-4-HYDROXY-BENZENESULFONAMIDE

  • Product code: SSC-178118
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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 6837-92-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

6837-92-9 / 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide

Standard CAS: 6837-92-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6837-92-9
Multi CAS
No
Molecular Formula
C10H16N2O3S
Molecular Weight
244.310000
Exact Mass
244.088164
InChI
InChI=1S/C10H16N2O3S/c1-3-12(4-2)16(14,15)8-5-6-10(13)9(11)7-8/h5-7,13H,3-4,11H2,1-2H3
InChIKey
RTALNXDPLAIQCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.63
TPSA
83.63

LogP / Solubility

WLOGP
1
MLOGP
0.89
XLogP3
1.4
Consensus LogP
1.1
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-3.5

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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