CAS RN: 122799-38-6
2′-DEOXY-2′-FLUOROTHYMIDINE
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.20260429 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS122799-38-6
- Purity/Analytical Methods: >99.0%
122799-38-6 / 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Basic Information
CAS
122799-38-6
Multi CAS
No
Molecular Formula
C10H13FN2O5
Molecular Weight
260.220000
Exact Mass
260.080850
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9-/m1/s1
InChIKey
GBBJCSTXCAQSSJ-JXOAFFINSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
57.96
TPSA
104.55
LogP / Solubility
WLOGP
-1.57
MLOGP
-1.37
XLogP3
-0.9
Consensus LogP
-1.28
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
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)
-5.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
3-AMINO-1-CYCLOPENTYL-1H-PYRAZOLE-4-CARBONITRILE
- CAS RN: 122799-98-8
- Product Code: SSC-026296
-
-
-
-
