![CAS 144927-56-0 4-CHLORO-5-(METHYLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144927-56-0.gif)
CAS RN: 144927-56-0
4-CHLORO-5-(METHYLSULFANYL)-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.20250509 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS144927-56-0
- Purity/Analytical Methods: >99.0%
144927-56-0 / 4-chloro-5-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
144927-56-0
Multi CAS
No
Molecular Formula
C7H6ClN3S
Molecular Weight
199.660000
Exact Mass
198.997096
SMILES
CSC1=CNC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C7H6ClN3S/c1-12-4-2-9-7-5(4)6(8)10-3-11-7/h2-3H,1H3,(H,9,10,11)
InChIKey
OUDUMILAWSRWRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.68
TPSA
41.57
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.28
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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