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CAS 55011-44-4 3,7-Diamino-2,8-dimethyldibenzothiophene Sulfone (contains 2,6-Dimethyl isomer) molecular structure lightbox
CAS RN: 55011-44-4

3,7-Diamino-2,8-dimethyldibenzothiophene Sulfone (contains 2,6-Dimethyl isomer)

  • Product code: SSC-162852
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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: 5g
  • Available purity: ＞97%
  • 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 55011-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

55011-44-4 / 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine

Standard CAS: 55011-44-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55011-44-4
Multi CAS
Yes
Molecular Formula
C14H14N2O2S
Molecular Weight
274.340000
Exact Mass
274.077599
InChI
InChI=1S/C14H14N2O2S/c1-7-3-9-10-4-8(2)12(16)6-14(10)19(17,18)13(9)5-11(7)15/h3-6H,15-16H2,1-2H3
InChIKey
OJSPYCPPVCMEBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.63
TPSA
86.18

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
1.8
Consensus LogP
2.03
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.77

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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