![CAS 2185860-74-4 Pyrido[2,3-d]pyrimidin-7(8H)-one, 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(methylthio)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2185860-74-4.png)
CAS RN: 2185860-74-4
Pyrido[2,3-d]pyrimidin-7(8H)-one, 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-(methylthio)-
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.20260424 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2185860-74-4
- Purity/Analytical Methods: >99.0%
2185860-74-4 / 8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
2185860-74-4
Multi CAS
No
Molecular Formula
C14H17N3O2S
Molecular Weight
291.370000
Exact Mass
291.104148
SMILES
C[C@]1(CCC[C@H]1N2C(=O)C=CC3=CN=C(N=C32)SC)O
InChI
InChI=1S/C14H17N3O2S/c1-14(19)7-3-4-10(14)17-11(18)6-5-9-8-15-13(20-2)16-12(9)17/h5-6,8,10,19H,3-4,7H2,1-2H3/t10-,14-/m1/s1
InChIKey
NRSPJHJRIBXXON-QMTHXVAHSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
79.09
TPSA
68.01
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
1.5
Consensus LogP
1.75
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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