![CAS 90358-16-0 4-chloro-5-methyl-7H-Pyrrolo[2,3-d]pyrimidin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90358-16-0.gif)
CAS RN: 90358-16-0
4-chloro-5-methyl-7H-Pyrrolo[2,3-d]pyrimidin-2-amine
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.20260515 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90358-16-0
- Purity/Analytical Methods: >99.0%
90358-16-0 / 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Basic Information
CAS
90358-16-0
Multi CAS
No
Molecular Formula
C7H7CLN4
Molecular Weight
182.610000
Exact Mass
182.035924
InChI
InChI=1S/C7H7ClN4/c1-3-2-10-6-4(3)5(8)11-7(9)12-6/h2H,1H3,(H3,9,10,11,12)
InChIKey
XSTHCQQIOBGYKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.05
TPSA
67.59
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-2.77
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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