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CAS 321862-88-8 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE](SODIUM SALT) molecular structure lightbox
CAS RN: 321862-88-8

1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE](SODIUM SALT)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS321862-88-8
  • Purity/Analytical Methods: >99.0%
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321862-88-8 / disodium;(2S)-2-amino-3-[[(2R)-2,3-di(octanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate

Standard CAS: 321862-88-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
321862-88-8
Multi CAS
Yes
Molecular Formula
C22H40NNA2O10P
Molecular Weight
555.500000
Exact Mass
555.218522
InChI
InChI=1S/C22H42NO10P.2Na/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27;;/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29);;/q;2*+1/p-2/t18-,19+;;/m1../s1
InChIKey
SENVZFUZIJUCPU-QNCHGCKQSA-L

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.86
Rotatable bonds
22
H-bond acceptors
11
H-bond donors
1
Molar refractivity
120.08
TPSA
177.34

LogP / Solubility

WLOGP
-4.25
MLOGP
-3.7
XLogP3
-4.25
Consensus LogP
-4.07
Log S (ESOL)
0.85
Class (ESOL)
Highly soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-9.13

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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