CAS RN: 32387-56-7

5-CHLORO-2′-DEOXYCYTIDINE

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Batchno.20250916 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS32387-56-7
  • Purity/Analytical Methods: >99.0%
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32387-56-7 / 4-amino-5-chloro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Standard CAS: 32387-56-7 Multi CAS: Yes

Basic Information

CAS
32387-56-7
Multi CAS
Yes
Molecular Formula
C9H12CLN3O4
Molecular Weight
261.660000
Exact Mass
261.051634
InChI
InChI=1S/C9H12ClN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChIKey
NGGRGTWYSXYVDK-RRKCRQDMSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
59.54
TPSA
110.6

LogP / Solubility

WLOGP
-0.88
MLOGP
-0.77
XLogP3
-0.9
Consensus LogP
-0.85
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.87
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)
-4.94

Drug-likeness / Medicinal Chemistry

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

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