CAS RN: 321883-64-1

1,2-didecanoyl-sn-glycero-3-phosphate (sodiuM salt)

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  • Product code: starshine_CAS321883-64-1
  • Purity/Analytical Methods: >99.0%
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321883-64-1 / disodium;[(2R)-2,3-di(decanoyloxy)propyl] phosphate

Standard CAS: 321883-64-1 Multi CAS: Yes

Basic Information

CAS
321883-64-1
Multi CAS
Yes
Molecular Formula
C23H43NA2O8P
Molecular Weight
524.500000
Exact Mass
524.249094
InChI
InChI=1S/C23H45O8P.Na/c1-3-5-7-9-11-13-15-17-22(24)29-19-21(20-30-32(26,27)28)31-23(25)18-16-14-12-10-8-6-4-2;/h21H,3-20H2,1-2H3,(H2,26,27,28);/q;+1/p-1/t21-;/m1./s1
InChIKey
YVHWEENUNNUSBE-ZMBIFBSDSA-M

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.91
Rotatable bonds
22
H-bond acceptors
8
Molar refractivity
119.62
TPSA
125.02

LogP / Solubility

WLOGP
-1.42
MLOGP
-1.21
XLogP3
-1.42
Consensus LogP
-1.35
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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)
-6.93

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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