![CAS 157286-81-2 4-CHLORO-2,5-DIMETHYL-7-(2,4,6-TRIMETHYLPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/157286-81-2.gif)
CAS RN: 157286-81-2
4-CHLORO-2,5-DIMETHYL-7-(2,4,6-TRIMETHYLPHENYL)-7H-PYRROLO[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.20251004 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS157286-81-2
- Purity/Analytical Methods: >99.0%
157286-81-2 / 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
157286-81-2
Multi CAS
No
Molecular Formula
C17H18ClN3
Molecular Weight
299.800000
Exact Mass
299.118925
SMILES
CC1=CC(=C(C(=C1)C)N2C=C(C3=C2N=C(N=C3Cl)C)C)C
InChI
InChI=1S/C17H18ClN3/c1-9-6-10(2)15(11(3)7-9)21-8-12(4)14-16(18)19-13(5)20-17(14)21/h6-8H,1-5H3
InChIKey
CGLDYVRQHDEHPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
87.56
TPSA
30.71
LogP / Solubility
WLOGP
4.62
MLOGP
4.07
XLogP3
5.1
Consensus LogP
4.6
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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