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CAS 326589-90-6 1-OLEOYL-2-HYDROXY-SN-GLYCERO-3[PHOSPHO-L-SERINE](SODIUM SALT) molecular structure lightbox
CAS RN: 326589-90-6

1-OLEOYL-2-HYDROXY-SN-GLYCERO-3[PHOSPHO-L-SERINE](SODIUM SALT)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS326589-90-6
  • Purity/Analytical Methods: >99.0%
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326589-90-6 / sodium (2S)-2-azaniumyl-3-[[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate

Standard CAS: 326589-90-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
326589-90-6
Multi CAS
Yes
Molecular Formula
C24H45NNAO9P
Molecular Weight
545.600000
Exact Mass
545.272963
InChI
InChI=1S/C24H46NO9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29;/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31);/q;+1/p-1
InChIKey
ULNYNKJABITZRB-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.83
Rotatable bonds
24
H-bond acceptors
9
H-bond donors
2
Molar refractivity
127.61
TPSA
172.89

LogP / Solubility

WLOGP
-1.21
MLOGP
-1.02
XLogP3
-1.21
Consensus LogP
-1.15
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.09
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)
-6.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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