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CAS 13058-04-3 FARNESYLPYROPHOSPHATE molecular structure lightbox
CAS RN: 13058-04-3

FARNESYLPYROPHOSPHATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 1mg In stock Shanghai, Shandong Inquiry
Batchno.20250312 200μg In stock Guangdong, Hebei Inquiry
Batchno.20250711 5mg In stock Shandong Inquiry
  • Product code: starshine_CAS13058-04-3
  • Purity/Analytical Methods: >99.0%
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13058-04-3 / phosphono 3,7,11-trimethyldodeca-2,6,10-trienyl hydrogen phosphate

Standard CAS: 13058-04-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13058-04-3
Multi CAS
No
Molecular Formula
C15H28O7P2
Molecular Weight
382.330000
Exact Mass
382.131027
SMILES
CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C
InChI
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)
InChIKey
VWFJDQUYCIWHTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.6
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
3
Molar refractivity
94.32
TPSA
113.29

LogP / Solubility

WLOGP
4.63
MLOGP
4.1
XLogP3
2.6
Consensus LogP
3.78
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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