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CAS 6161-23-5 3′,5′-DI-O-ACETYL-5-BROMO-2′-DEOXY-D-URIDINE molecular structure lightbox
CAS RN: 6161-23-5

3′,5′-DI-O-ACETYL-5-BROMO-2′-DEOXY-D-URIDINE

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251209 1g In stock Inquiry
Batchno.20250117 250mg In stock Inquiry
Batchno.20260314 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250914 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS6161-23-5
  • Purity/Analytical Methods: >99.0%
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6161-23-5 / [(2R,3S,5R)-3-acetyloxy-5-(5-bromo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate

Standard CAS: 6161-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6161-23-5
Multi CAS
Yes
Molecular Formula
BC13H15O7Rn2
Molecular Weight
391.170000
Exact Mass
390.006260
InChI
InChI=1S/C13H15BrN2O7/c1-6(17)21-5-10-9(22-7(2)18)3-11(23-10)16-4-8(14)12(19)15-13(16)20/h4,9-11H,3,5H2,1-2H3,(H,15,19,20)/t9-,10+,11+/m0/s1
InChIKey
QRIHCNASFWJWJB-HBNTYKKESA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
79.74
TPSA
116.69

LogP / Solubility

WLOGP
0.08
MLOGP
0.09
XLogP3
0.3
Consensus LogP
0.16
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-5.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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