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CAS 1572051-31-0 O-7460 molecular structure lightbox
CAS RN: 1572051-31-0

O-7460

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 500μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1572051-31-0
  • Purity/Analytical Methods: >99.0%
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1572051-31-0 / [1-[fluoro(methyl)phosphoryl]oxy-3-propan-2-yloxypropan-2-yl] (Z)-octadec-9-enoate

Standard CAS: 1572051-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1572051-31-0
Multi CAS
No
Molecular Formula
C25H48FO5P
Molecular Weight
478.600000
Exact Mass
478.322340
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(C)C)COP(=O)(C)F
InChI
InChI=1S/C25H48FO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(27)31-24(21-29-23(2)3)22-30-32(4,26)28/h12-13,23-24H,5-11,14-22H2,1-4H3/b13-12-
InChIKey
ZLEFMXNNQCABDB-SEYXRHQNSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.88
Rotatable bonds
22
H-bond acceptors
5
Molar refractivity
131.01
TPSA
61.83

LogP / Solubility

WLOGP
8.17
MLOGP
7.22
XLogP3
8.1
Consensus LogP
7.83
Log S (ESOL)
-6.5
Class (ESOL)
Insoluble
Log S (Ali)
-9.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.16

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
3.5

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