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CAS 9005-70-3 Tween 85 (=Polyoxyethylene Sorbitan Trioleate) [for Biochemical Research] molecular structure lightbox
CAS RN: 9005-70-3

Tween 85 (=Polyoxyethylene Sorbitan Trioleate) [for Biochemical Research]

  • Product code: SSC-202454
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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: ＞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 9005-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1000g ＞95% 0 Out of Stock Shanghai Inquiry

9005-70-3 / methyl 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)thiophene-2-carboxylate

Standard CAS: 9005-70-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
9005-70-3
Multi CAS
Yes
Molecular Formula
C14H13NO6S2
Molecular Weight
355.400000
Exact Mass
355.018429
InChI
InChI=1S/C14H13NO6S2/c1-19-14(16)13-12(4-5-22-13)23(17,18)15-7-9-2-3-10-11(6-9)21-8-20-10/h2-6,15H,7-8H2,1H3
InChIKey
KPCLPBLTPXDOIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
82.25
TPSA
90.93

LogP / Solubility

WLOGP
1.74
MLOGP
1.55
XLogP3
2.1
Consensus LogP
1.8
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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