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CAS 72218-68-9 2′-Bromo-2′-deoxyuridine molecular structure lightbox
CAS RN: 72218-68-9

2′-Bromo-2′-deoxyuridine

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 100mg In stock Inquiry
Batchno.20250405 500mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 100mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS72218-68-9
  • Purity/Analytical Methods: >99.0%
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72218-68-9 / 1-[(2R,3R,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 72218-68-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72218-68-9
Multi CAS
Yes
Molecular Formula
BC9H11O5Rn2
Molecular Weight
307.100000
Exact Mass
305.985130
InChI
InChI=1S/C9H11BrN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
InChIKey
FEUDNSHXOOLCEY-XVFCMESISA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
61.04
TPSA
104.55

LogP / Solubility

WLOGP
-1.45
MLOGP
-1.26
XLogP3
-0.5
Consensus LogP
-1.07
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-5.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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