CAS RN: 9000-90-2

α-Amylase diluted with Starch, from Bacillus amyloliquefaciens

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  • Product code: SSC-202314
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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: 1000g
  • Available purity: N/A
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

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Recorded sizes, purity and stock details for CAS 9000-90-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1000g N/A 0 Out of Stock Beijing Inquiry

9000-90-2 / 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one

Standard CAS: 9000-90-2 Multi CAS: No

Basic Information

CAS
9000-90-2
Multi CAS
No
Molecular Formula
C15H17N3OS2
Molecular Weight
319.400000
Exact Mass
319.081305
InChI
InChI=1S/C15H17N3OS2/c1-10(20-15-17-16-11(2)21-15)14(19)18-8-7-12-5-3-4-6-13(12)9-18/h3-6,10H,7-9H2,1-2H3
InChIKey
AYCAGNGVCDDKNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
85.53
TPSA
46.09

LogP / Solubility

WLOGP
2.91
MLOGP
2.58
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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