CAS RN: 1185318-27-7
4-Chloro-6-(phenyl-d5)-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.20250616 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC889851
1185318-27-7 / 4-chloro-6-(2,3,4,5,6-pentadeuteriophenyl)pyrimidine
4-Chloro-6-(phenyl-d5)-pyrimidine | AKOS015944334 | CS-17839
Basic Information
CAS
1185318-27-7
Multi CAS
No
Molecular Formula
C10H7ClN2
Molecular Weight
195.660000
Exact Mass
195.061160
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=CC(=NC=N2)Cl)[2H])[2H]
InChI
InChI=1S/C10H7ClN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H/i1D,2D,3D,4D,5D
InChIKey
RHTJKTOWBBKGNJ-RALIUCGRSA-N
Synonyms
4-Chloro-6-(phenyl-d5)-pyrimidine
AKOS015944334
CS-17839
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.48
TPSA
25.78
LogP / Solubility
WLOGP
2.8
MLOGP
2.46
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
