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CAS 321863-22-3 1,2-didecanoyl-sn-glycero-3-phospho-L-serine (sodiuM salt) molecular structure lightbox
CAS RN: 321863-22-3

1,2-didecanoyl-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.20260618 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS321863-22-3
  • Purity/Analytical Methods: >99.0%
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321863-22-3 / (2S)-2-amino-3-[[(2R)-2,3-di(decanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid

Standard CAS: 321863-22-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
321863-22-3
Multi CAS
Yes
Molecular Formula
C26H50NO10P
Molecular Weight
567.600000
Exact Mass
567.317234
InChI
InChI=1S/C26H50NO10P.Na/c1-3-5-7-9-11-13-15-17-24(28)34-19-22(20-35-38(32,33)36-21-23(27)26(30)31)37-25(29)18-16-14-12-10-8-6-4-2;/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33);/q;+1/p-1/t22-,23+;/m1./s1
InChIKey
MNHRZRUSKRPBDA-RFPXDPOKSA-M

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.88
Rotatable bonds
26
H-bond acceptors
9
H-bond donors
3
Molar refractivity
143.4
TPSA
171.68

LogP / Solubility

WLOGP
5.27
MLOGP
4.68
XLogP3
3.4
Consensus LogP
4.45
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44

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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