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CAS 2880-89-9 5-Chlorouridine molecular structure lightbox
CAS RN: 2880-89-9

5-Chlorouridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260216 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2880-89-9
  • Purity/Analytical Methods: >99.0%
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2880-89-9 / 5-chloro-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 2880-89-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2880-89-9
Multi CAS
Yes
Molecular Formula
C9H11CLN2O6
Molecular Weight
278.640000
Exact Mass
278.030564
InChI
InChI=1S/C9H11ClN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
InChIKey
LDCUBKKZHSYQTJ-UAKXSSHOSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
4
Molar refractivity
59.34
TPSA
124.78

LogP / Solubility

WLOGP
-2.2
MLOGP
-1.93
XLogP3
-1.1
Consensus LogP
-1.74
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.11
Class (SILICOS-IT)
Highly 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)
-5.98

Drug-likeness / Medicinal Chemistry

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

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