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CAS 2921-20-2 2-(Tetradecylthio)acetic Acid molecular structure lightbox
CAS RN: 2921-20-2

2-(Tetradecylthio)acetic Acid

  • Product code: SSC-131656
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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 2921-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

2921-20-2 / 2-tetradecylsulfanylacetic acid

Standard CAS: 2921-20-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2921-20-2
Multi CAS
Yes
Molecular Formula
C16H32O2S
Molecular Weight
288.500000
Exact Mass
288.212301
InChI
InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey
IPBCWPPBAWQYOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
1
Molar refractivity
86.04
TPSA
37.3

LogP / Solubility

WLOGP
5.51
MLOGP
4.86
XLogP3
7.1
Consensus LogP
5.82
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.9
Class (SILICOS-IT)
Insoluble

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)
-0.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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