CAS RN: 208652-74-8
5-(4-fluorophenyl)-2-methyl-4-(4-pyridyl)-1H-pyrimidin-6-one
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.20260124 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS208652-74-8
- Purity/Analytical Methods: >99.0%
208652-74-8 / 5-(4-fluorophenyl)-2-methyl-4-pyridin-4-yl-1H-pyrimidin-6-one
Basic Information
CAS
208652-74-8
Multi CAS
No
Molecular Formula
C16H12FN3O
Molecular Weight
281.280000
Exact Mass
281.096440
SMILES
CC1=NC(=C(C(=O)N1)C2=CC=C(C=C2)F)C3=CC=NC=C3
InChI
InChI=1S/C16H12FN3O/c1-10-19-15(12-6-8-18-9-7-12)14(16(21)20-10)11-2-4-13(17)5-3-11/h2-9H,1H3,(H,19,20,21)
InChIKey
IJOYKDUPWGVGRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.22
TPSA
58.64
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
1.6
Consensus LogP
2.38
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
2-(2-bromoethyl)naphthalene
- CAS RN: 2086-62-6
- Product Code: starshine_CAS2086-62-6
- Purity/Analytical method: >99.0%
-
MMP-3 INHIBITOR VIII
- CAS RN: 208663-26-7
- Product Code: starshine_CAS208663-26-7
- Purity/Analytical method: >99.0%
-
-
-
BOC-TYR-OSU
- CAS RN: 20866-56-2
- Product Code: starshine_CAS20866-56-2
- Purity/Analytical method: >99.0%
