CAS RN: 25526-94-7
ZIDOVUDINE RELATED COMPOUND B (25 MG) (3′-CHLORO-3′-DEOXYTHYMIDINE)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250628 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS25526-94-7
- Purity/Analytical Methods: >99.0%
25526-94-7 / 1-[(2R,4S,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Basic Information
CAS
25526-94-7
Multi CAS
No
Molecular Formula
C10H13ClN2O4
Molecular Weight
260.670000
Exact Mass
260.056385
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)Cl
InChI
InChI=1S/C10H13ClN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKey
KQVJDKGDGLWBQT-XLPZGREQSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.31
TPSA
84.32
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.23
Consensus LogP
-0.17
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-4.5
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
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