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CAS 5910-79-2 HEPTADECYL SODIUM SULFATE molecular structure lightbox
CAS RN: 5910-79-2

HEPTADECYL SODIUM SULFATE

  • Product code: SSC-167507
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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: ≥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 5910-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

5910-79-2 / sodium heptadecyl sulfate

Standard CAS: 5910-79-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5910-79-2
Multi CAS
Yes
Molecular Formula
C17H35NAO4S
Molecular Weight
358.500000
Exact Mass
358.215375
InChI
InChI=1S/C17H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22(18,19)20;/h2-17H2,1H3,(H,18,19,20);/q;+1/p-1
InChIKey
HHURSJAUVYNJBT-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
4
Molar refractivity
90.58
TPSA
66.43

LogP / Solubility

WLOGP
2.34
MLOGP
2.08
XLogP3
2.34
Consensus LogP
2.25
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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