CAS RN: 1160707-78-7
5-Methyl-2′-deoxy Cytidine-d3
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260321 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1160707-78-7
- Purity/Analytical Methods: >99.0%
1160707-78-7 / 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidin-2-one
5-Methyl-2'-deoxy Cytidine-d3 | Cytidine, 2'-deoxy-5-(methyl-d3)- | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidin-2-one
Basic Information
CAS
1160707-78-7
Multi CAS
Yes
Molecular Formula
C10H15N3O4
Molecular Weight
244.260000
Exact Mass
244.125086
SMILES
[2H]C([2H])([2H])C1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1/i1D3
InChIKey
LUCHPKXVUGJYGU-BXKFBODDSA-N
Synonyms
5-Methyl-2'-deoxy Cytidine-d3
Cytidine, 2'-deoxy-5-(methyl-d3)-
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidin-2-one
CID 71750272
G91414
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
59.27
TPSA
110.6
LogP / Solubility
WLOGP
-1.23
MLOGP
-1.07
XLogP3
-1.4
Consensus LogP
-1.23
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
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)
-5.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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