CAS RN: 649736-26-5
6-(Benzyloxy)-5-Methylpyr…
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.20251019 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS649736-26-5
- Purity/Analytical Methods: >99.0%
649736-26-5 / 5-methyl-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
Basic Information
CAS
649736-26-5
Multi CAS
Yes
Molecular Formula
C14H13N3O2
Molecular Weight
255.270000
Exact Mass
255.100777
InChI
InChI=1S/C14H13N3O2/c1-10-12(19-8-11-5-3-2-4-6-11)7-17-13(10)14(18)15-9-16-17/h2-7,9H,8H2,1H3,(H,15,16,18)
InChIKey
PUSGMIOQZISFKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.32
TPSA
59.39
LogP / Solubility
WLOGP
1.91
MLOGP
1.69
XLogP3
2
Consensus LogP
1.87
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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