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CAS 325465-45-0 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE (SODIUM SALT) molecular structure lightbox
CAS RN: 325465-45-0

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

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250509 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS325465-45-0
  • Purity/Analytical Methods: >99.0%
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325465-45-0 / disodium;[(2R)-2-hydroxy-3-tetradecanoyloxypropyl] phosphate

Standard CAS: 325465-45-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
325465-45-0
Multi CAS
Yes
Molecular Formula
C17H33NA2O7P
Molecular Weight
426.400000
Exact Mass
426.175929
InChI
InChI=1S/C17H35O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22;/h16,18H,2-15H2,1H3,(H2,20,21,22);/t16-;/m1./s1
InChIKey
ZNLPNYOLCDBTGK-PKLMIRHRSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.94
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
1
Molar refractivity
91.6
TPSA
118.95

LogP / Solubility

WLOGP
-3.56
MLOGP
-3.1
XLogP3
-3.56
Consensus LogP
-3.41
Log S (ESOL)
0.88
Class (ESOL)
Highly soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
Soluble

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
No
Log Kp (skin permeation)
-7.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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