![CAS 1275608-17-7 “2,4-dichloro-6-ethyl-7Hpyrrolo[2,3-d]pyrimidine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1275608-17-7.gif)
CAS RN: 1275608-17-7
“2,4-dichloro-6-ethyl-7Hpyrrolo[2,3-d]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.20260404 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1275608-17-7
- Purity/Analytical Methods: >99.0%
1275608-17-7 / 2,4-dichloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
1275608-17-7
Multi CAS
No
Molecular Formula
C8H7Cl2N3
Molecular Weight
216.060000
Exact Mass
215.001703
SMILES
CCC1=CC2=C(N1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C8H7Cl2N3/c1-2-4-3-5-6(9)12-8(10)13-7(5)11-4/h3H,2H2,1H3,(H,11,12,13)
InChIKey
DAIHJEKQJWHQEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.29
TPSA
41.57
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
3.4
Consensus LogP
2.91
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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