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CAS 34290-57-8 1,2-dipalMitoyl-sn-glycero-3-phospho-(1′-Myo-inositol) (aMMoniuM salt) molecular structure lightbox
CAS RN: 34290-57-8

1,2-dipalMitoyl-sn-glycero-3-phospho-(1′-Myo-inositol) (aMMoniuM salt)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 0.1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34290-57-8
  • Purity/Analytical Methods: >99.0%
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34290-57-8 / azane;[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate

Standard CAS: 34290-57-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34290-57-8
Multi CAS
Yes
Molecular Formula
C41H82NO13P
Molecular Weight
828.100000
Exact Mass
827.552379
InChI
InChI=1S/C41H79O13P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50);1H3/t33-,36?,37-,38+,39-,40-,41?;/m1./s1
InChIKey
MRDHBHKPDFRCJQ-HUKLJVEISA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Fraction Csp3
0.95
Rotatable bonds
36
H-bond acceptors
13
H-bond donors
7
Molar refractivity
217.17
TPSA
244.51

LogP / Solubility

WLOGP
7.89
MLOGP
7.02
XLogP3
7.89
Consensus LogP
7.6
Log S (ESOL)
-7.57
Class (ESOL)
Insoluble
Log S (Ali)
-12.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.91
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)
-2.17

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
7

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