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CAS 169437-35-8 1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHATE(MONOSODIUM SALT) molecular structure lightbox
CAS RN: 169437-35-8

1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHATE(MONOSODIUM SALT)

  • Product code: SSC-074018
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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: 0.1g
  • 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 169437-35-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

169437-35-8 / sodium [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] hydrogen phosphate

Standard CAS: 169437-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169437-35-8
Multi CAS
No
Molecular Formula
C37H70NaO8P
Molecular Weight
696.900000
Exact Mass
696.470600
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]
InChI
InChI=1S/C37H71O8P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42);/q;+1/p-1/b18-17-;/t35-;/m1./s1
InChIKey
PPYXMAJBOKWTQX-RYRMQHSSSA-M

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.89
Rotatable bonds
35
H-bond acceptors
7
H-bond donors
1
Molar refractivity
186.38
TPSA
122.19

LogP / Solubility

WLOGP
7.44
MLOGP
6.61
XLogP3
7.44
Consensus LogP
7.16
Log S (ESOL)
-6.54
Class (ESOL)
Insoluble
Log S (Ali)
-10.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.57
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)
-1.69

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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