CAS RN: 169677-65-0
2-((2-chloropyrimidin-5-yl)oxy)acetonitrile
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.20250710 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS169677-65-0
- Purity/Analytical Methods: >99.0%
169677-65-0 / 2-(2-chloropyrimidin-5-yl)oxyacetonitrile
Basic Information
CAS
169677-65-0
Multi CAS
No
Molecular Formula
C6H4ClN3O
Molecular Weight
169.570000
Exact Mass
169.004290
SMILES
C1=C(C=NC(=N1)Cl)OCC#N
InChI
InChI=1S/C6H4ClN3O/c7-6-9-3-5(4-10-6)11-2-1-8/h3-4H,2H2
InChIKey
FXNDYQZMTGZYPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
38.15
TPSA
58.8
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
0.9
Consensus LogP
0.94
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
(1S,2S)-(-)-1,2-DIAMINOCYCLOHEXANE-N,N’-BIS(2′-DIPHENYLPHOSPHINOBENZOYL)
- CAS RN: 169689-05-8
- Product Code: SSC-074288
-
2-METHYL-2-PROPANYL 3,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRROLE-2(1H)-CARBOXYLATE
- CAS RN: 169692-94-8
- Product Code: SSC-074293
-
5-bromo-1,1,3,3-tetramethyl-2,3-dihydro-1H-indene
- CAS RN: 169695-24-3
- Product Code: SSC-074295
-
![CAS 169692-94-8 2-METHYL-2-PROPANYL 3,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRROLE-2(1H)-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/169692-94-8.gif)
