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CAS 62163-14-8 2-fluorogeranyl pyrophosphate molecular structure lightbox
CAS RN: 62163-14-8

2-fluorogeranyl pyrophosphate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62163-14-8
  • Purity/Analytical Methods: >99.0%
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62163-14-8 / (2-fluoro-3,7-dimethylocta-2,6-dienyl) phosphono hydrogen phosphate

Standard CAS: 62163-14-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62163-14-8
Multi CAS
Yes
Molecular Formula
C10FH19O7P2
Molecular Weight
332.200000
Exact Mass
332.059005
InChI
InChI=1S/C10H19FO7P2/c1-8(2)5-4-6-9(3)10(11)7-17-20(15,16)18-19(12,13)14/h5H,4,6-7H2,1-3H3,(H,15,16)(H2,12,13,14)/b10-9-
InChIKey
BYJNSLXDWGDGAC-KTKRTIGZSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
71.38
TPSA
113.29

LogP / Solubility

WLOGP
3.2
MLOGP
2.83
XLogP3
0.6
Consensus LogP
2.21
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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