CAS RN: 7481-90-5
1-(3,5-Anhydro-2-deoxy-β-D-threo-pentofuranosyl)thymine
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.20250925 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTA2073
- Purity/Analytical Methods: >98.0%(T)(HPLC)
7481-90-5 / 1-(2,6-dioxabicyclo[3.2.0]heptan-3-yl)-5-methylpyrimidine-2,4-dione
Basic Information
CAS
7481-90-5
Multi CAS
Yes
Molecular Formula
C10H12N2O4
Molecular Weight
224.210000
Exact Mass
224.079707
InChI
InChI=1S/C10H12N2O4/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(16-8)4-15-6/h3,6-8H,2,4H2,1H3,(H,11,13,14)
InChIKey
OAWLMYIJZBBZTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.33
TPSA
73.32
LogP / Solubility
WLOGP
-0.47
MLOGP
-0.41
XLogP3
-0.5
Consensus LogP
-0.46
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
-
-
-
2′-Azido-2′-deoxyuridine
- CAS RN: 26929-65-7
- Product Code: ICTA2942
- Purity/Analytical method: >98.0%(HPLC)
