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CAS 704916-12-1 1,3,5-Tri-O-benzoyl-2-deoxy-2-fluoro-α-D-ribofuranose molecular structure lightbox
CAS RN: 704916-12-1

1,3,5-Tri-O-benzoyl-2-deoxy-2-fluoro-α-D-ribofuranose

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250307 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS704916-12-1
  • Purity/Analytical Methods: >99.0%
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704916-12-1 / (3,5-dibenzoyloxy-4-fluorooxolan-2-yl)methyl benzoate

Standard CAS: 704916-12-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
704916-12-1
Multi CAS
Yes
Molecular Formula
C26FH21O7
Molecular Weight
464.400000
Exact Mass
464.127131
InChI
InChI=1S/C26H21FO7/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26H,16H2/t20-,21-,22-,26-/m1/s1
InChIKey
JOAHVPNLVYCSAN-PIXQIBFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
117.78
TPSA
88.13

LogP / Solubility

WLOGP
3.99
MLOGP
3.54
XLogP3
5.2
Consensus LogP
4.24
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.72

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
5

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