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CAS 17618-08-5 1-PALMITOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE(SODIUM SALT) molecular structure lightbox
CAS RN: 17618-08-5

1-PALMITOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE(SODIUM SALT)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250826 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17618-08-5
  • Purity/Analytical Methods: >99.0%
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17618-08-5 / sodium [(2R)-3-hexadecanoyloxy-2-hydroxypropyl] hydrogen phosphate

Standard CAS: 17618-08-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17618-08-5
Multi CAS
No
Molecular Formula
C19H38NaO7P
Molecular Weight
432.500000
Exact Mass
432.225285
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)[O-])O.[Na+]
InChI
InChI=1S/C19H39O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24;/h18,20H,2-17H2,1H3,(H2,22,23,24);/q;+1/p-1/t18-;/m1./s1
InChIKey
NWOPIWLNGYLZCJ-GMUIIQOCSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.95
Rotatable bonds
19
H-bond acceptors
6
H-bond donors
2
Molar refractivity
103.06
TPSA
116.12

LogP / Solubility

WLOGP
0.85
MLOGP
0.78
XLogP3
0.85
Consensus LogP
0.83
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble

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)
-4.75

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
3.5

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