CAS RN: 90693-88-2

1,2-dioleoyl-sn-glycero-3-phospho-L-serine (sodiuM salt)

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9 package records9 with current stock2 grade groups
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Batchno.20251027 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
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Batchno.20251111 250mg In stock Shanghai Inquiry
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Batchno.20260510 250mg In stock Shanghai, Chongqing Inquiry
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  • Product code: starshine_CAS90693-88-2
  • Purity/Analytical Methods: >99.0%
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90693-88-2 / sodium [(2S)-2-amino-2-carboxyethyl] [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] phosphate

Standard CAS: 90693-88-2 Multi CAS: Yes

Basic Information

CAS
90693-88-2
Multi CAS
Yes
Molecular Formula
C42H77NNAO10P
Molecular Weight
810.000000
Exact Mass
809.518279
InChI
InChI=1S/C42H78NO10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49);/q;+1/p-1/b19-17-,20-18-;/t38-,39+;/m1./s1
InChIKey
KPHZNDUWYZIXFY-YORIBCANSA-M

Computed Properties

Structural Parameters

Heavy atom count
55
Fraction Csp3
0.83
Rotatable bonds
40
H-bond acceptors
10
H-bond donors
2
Molar refractivity
214.86
TPSA
174.51

LogP / Solubility

WLOGP
7.43
MLOGP
6.62
XLogP3
7.43
Consensus LogP
7.16
Log S (ESOL)
-6.91
Class (ESOL)
Insoluble
Log S (Ali)
-11.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.9
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.38

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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