CAS RN: 1185317-95-6
4-Chloro-5-methyl-2-(iso-propoxy-d7)-pyrimidine
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.20250903 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC889847
1185317-95-6 / 4-chloro-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methylpyrimidine
4-Chloro-5-methyl-2-(iso-propoxy-d7)-pyrimidine | AKOS015944722 | CS-17817
Basic Information
CAS
1185317-95-6
Multi CAS
No
Molecular Formula
C8H11ClN2O
Molecular Weight
193.680000
Exact Mass
193.099928
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])OC1=NC=C(C(=N1)Cl)C
InChI
InChI=1S/C8H11ClN2O/c1-5(2)12-8-10-4-6(3)7(9)11-8/h4-5H,1-3H3/i1D3,2D3,5D
InChIKey
OXRUXAYLWHHZAM-TXVPSQRDSA-N
Synonyms
4-Chloro-5-methyl-2-(iso-propoxy-d7)-pyrimidine
AKOS015944722
CS-17817
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.54
TPSA
35.01
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
2.6
Consensus LogP
2.26
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
