CAS RN: 1383539-73-8
HJC0197
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250124 | 100mg | In stock | Inquiry |
| Batchno.20260311 | 10mg | In stock | Inquiry |
| Batchno.20250605 | 200mg | In stock | Inquiry |
| Batchno.20260418 | 25mg | In stock | Inquiry |
| Batchno.20251230 | 2mg | In stock | Inquiry |
| Batchno.20260203 | 50mg | In stock | Inquiry |
| Batchno.20260602 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS1383539-73-8
- Purity/Analytical Methods: >99.0%
1383539-73-8 / 4-cyclopentyl-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidine-5-carbonitrile
Basic Information
CAS
1383539-73-8
Multi CAS
No
Molecular Formula
C19H21N3OS
Molecular Weight
339.500000
Exact Mass
339.140533
SMILES
CC1=CC(=C(C=C1)C)CSC2=NC(=C(C(=O)N2)C#N)C3CCCC3
InChI
InChI=1S/C19H21N3OS/c1-12-7-8-13(2)15(9-12)11-24-19-21-17(14-5-3-4-6-14)16(10-20)18(23)22-19/h7-9,14H,3-6,11H2,1-2H3,(H,21,22,23)
InChIKey
QLLWRTHDHRGHQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
96.26
TPSA
69.54
LogP / Solubility
WLOGP
4.21
MLOGP
3.72
XLogP3
4
Consensus LogP
3.98
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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