![CAS 25716-58-9 4-chloro-2,6-dimethylfuro[2,3-d]pyrimidine, 97%(HPLC) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/25716-58-9.png)
CAS RN: 25716-58-9
4-chloro-2,6-dimethylfuro[2,3-d]pyrimidine, 97%(HPLC)
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.20260223 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC926716
25716-58-9 / 4-chloro-2,6-dimethylfuro[2,3-d]pyrimidine
Basic Information
CAS
25716-58-9
Multi CAS
No
Molecular Formula
C8H7ClN2O
Molecular Weight
182.610000
Exact Mass
182.024691
SMILES
CC1=CC2=C(O1)N=C(N=C2Cl)C
InChI
InChI=1S/C8H7ClN2O/c1-4-3-6-7(9)10-5(2)11-8(6)12-4/h3H,1-2H3
InChIKey
SENLJHHUZMWCFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
3
Molar refractivity
46.29
TPSA
38.92
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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