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CAS 143077-66-1 1-PALMITOYL-SN-GLYCERO-3-PHOSPHO-L-SERINE SODIUM SALT molecular structure lightbox
CAS RN: 143077-66-1

1-PALMITOYL-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.20260130 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS143077-66-1
  • Purity/Analytical Methods: >99.0%
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143077-66-1 / sodium (2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoate

Standard CAS: 143077-66-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143077-66-1
Multi CAS
No
Molecular Formula
C22H43NNaO9P
Molecular Weight
519.500000
Exact Mass
519.257313
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)[O-])N)O.[Na+]
InChI
InChI=1S/C22H44NO9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27;/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29);/q;+1/p-1/t19-,20+;/m1./s1
InChIKey
MNVYLWFGOUZBHG-FDOHDBATSA-M

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.91
Rotatable bonds
23
H-bond acceptors
9
H-bond donors
3
Molar refractivity
121.99
TPSA
168.44

LogP / Solubility

WLOGP
-0.41
MLOGP
-0.33
XLogP3
-0.41
Consensus LogP
-0.38
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.18

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
4

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