CAS RN: 1979192-13-6
REV7/REV3L-IN-1
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.20251024 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1979192-13-6
- Purity/Analytical Methods: >99.0%
1979192-13-6 / 3-[(1-acetylpiperidin-4-yl)methyl]-5-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-one
Basic Information
CAS
1979192-13-6
Multi CAS
No
Molecular Formula
C19H21N3O3S
Molecular Weight
371.500000
Exact Mass
371.130363
SMILES
CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C=N3)CC4CCN(CC4)C(=O)C
InChI
InChI=1S/C19H21N3O3S/c1-12-3-4-16(25-12)15-10-26-18-17(15)19(24)22(11-20-18)9-14-5-7-21(8-6-14)13(2)23/h3-4,10-11,14H,5-9H2,1-2H3
InChIKey
FCAGATFCNDPZOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
14
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
101.3
TPSA
68.34
LogP / Solubility
WLOGP
3.28
MLOGP
2.91
XLogP3
2.3
Consensus LogP
2.83
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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