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CAS 321883-53-8 1,2-dihexanoyl-sn-glycero-3-phosphate (sodiuM salt) molecular structure lightbox
CAS RN: 321883-53-8

1,2-dihexanoyl-sn-glycero-3-phosphate (sodiuM salt)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS321883-53-8
  • Purity/Analytical Methods: >99.0%
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321883-53-8 / sodium [(2R)-2,3-di(hexanoyloxy)propyl] hydrogen phosphate

Standard CAS: 321883-53-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
321883-53-8
Multi CAS
Yes
Molecular Formula
C15H28NAO8P
Molecular Weight
390.340000
Exact Mass
390.141949
InChI
InChI=1S/C15H29O8P.Na/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2;/h13H,3-12H2,1-2H3,(H2,18,19,20);/q;+1/p-1/t13-;/m1./s1
InChIKey
RSKVQVAHZSAALH-BTQNPOSSSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.87
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
1
Molar refractivity
84.9
TPSA
122.19

LogP / Solubility

WLOGP
-0.92
MLOGP
-0.78
XLogP3
-0.92
Consensus LogP
-0.87
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-5.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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