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CAS 124011-52-5 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATIDYL-RAC-GLYCEROL, NA SALT molecular structure lightbox
CAS RN: 124011-52-5

1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATIDYL-RAC-GLYCEROL, NA SALT

  • Product code: SSC-027694
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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: 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 124011-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

124011-52-5 / sodium 2,3-dihydroxypropyl 2,3-di(octadecanoyloxy)propyl phosphate

Standard CAS: 124011-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124011-52-5
Multi CAS
No
Molecular Formula
C42H82NaO10P
Molecular Weight
801.100000
Exact Mass
800.554330
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]
InChI
InChI=1S/C42H83O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h39-40,43-44H,3-38H2,1-2H3,(H,47,48);/q;+1/p-1
InChIKey
YNQYZBDRJZVSJE-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
54
Fraction Csp3
0.95
Rotatable bonds
42
H-bond acceptors
10
H-bond donors
2
Molar refractivity
212.53
TPSA
151.65

LogP / Solubility

WLOGP
7.82
MLOGP
6.96
XLogP3
7.82
Consensus LogP
7.53
Log S (ESOL)
-6.96
Class (ESOL)
Insoluble
Log S (Ali)
-11.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.4
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)
-2.05

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
5.5

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