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CAS 321862-85-5 1,2-dihexanoyl-sn-glycero-3-phospho-L-serine (sodiuM salt) molecular structure lightbox
CAS RN: 321862-85-5

1,2-dihexanoyl-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.20251126 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS321862-85-5
  • Purity/Analytical Methods: >99.0%
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321862-85-5 / disodium;(2S)-2-amino-3-[[(2R)-2,3-di(hexanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate

Standard CAS: 321862-85-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
321862-85-5
Multi CAS
Yes
Molecular Formula
C18H32NNA2O10P
Molecular Weight
499.400000
Exact Mass
499.155922
InChI
InChI=1S/C18H34NO10P.Na/c1-3-5-7-9-16(20)26-11-14(29-17(21)10-8-6-4-2)12-27-30(24,25)28-13-15(19)18(22)23;/h14-15H,3-13,19H2,1-2H3,(H,22,23)(H,24,25);/q;+1/p-1/t14-,15+;/m1./s1
InChIKey
OPDYVXCKOQKYDZ-LIOBNPLQSA-M

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.83
Rotatable bonds
18
H-bond acceptors
11
H-bond donors
1
Molar refractivity
101.62
TPSA
177.34

LogP / Solubility

WLOGP
-5.81
MLOGP
-5.08
XLogP3
-5.81
Consensus LogP
-5.57
Log S (ESOL)
1.91
Class (ESOL)
Highly soluble
Log S (Ali)
0.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very 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)
-9.89

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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