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CAS 9016-00-6 Poly(dimethylsiloxane) molecular structure lightbox
CAS RN: 9016-00-6

Poly(dimethylsiloxane)

  • Product code: SSC-202653
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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 9016-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1000g ≥95% 0 Out of Stock Shanghai Inquiry

9016-00-6 / sodium 2,3-di(hexadecanoyloxy)propyl hydrogen phosphate

Standard CAS: 9016-00-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
9016-00-6
Multi CAS
Yes
Molecular Formula
C35H68NAO8P
Molecular Weight
670.900000
Exact Mass
670.454950
InChI
InChI=1S/C35H69O8P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33H,3-32H2,1-2H3,(H2,38,39,40);/q;+1/p-1
InChIKey
BMBWFDPPCSTUSZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
0.94
Rotatable bonds
34
H-bond acceptors
7
H-bond donors
1
Molar refractivity
177.24
TPSA
122.19

LogP / Solubility

WLOGP
6.89
MLOGP
6.12
XLogP3
6.89
Consensus LogP
6.63
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-10.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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