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CAS 76824-16-3 FaMotidine AMide IMpurity molecular structure lightbox
CAS RN: 76824-16-3

FaMotidine AMide IMpurity

  • Product code: SSC-186245
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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: 0.1g
  • 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 76824-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

76824-16-3 / 3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanamide

Standard CAS: 76824-16-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76824-16-3
Multi CAS
Yes
Molecular Formula
C8H13N5OS2
Molecular Weight
259.400000
Exact Mass
259.056152
InChI
InChI=1S/C8H13N5OS2/c9-6(14)1-2-15-3-5-4-16-8(12-5)13-7(10)11/h4H,1-3H2,(H2,9,14)(H4,10,11,12,13)
InChIKey
BLXXXPVCYVHTQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
67.56
TPSA
120.38

LogP / Solubility

WLOGP
0.16
MLOGP
0.14
XLogP3
0.2
Consensus LogP
0.17
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-4.19

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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