CAS RN: 1309198-71-7
Ogerin
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250219 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1309198-71-7
- Purity/Analytical Methods: >99.0%
1309198-71-7 / [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol
Basic Information
CAS
1309198-71-7
Multi CAS
No
Molecular Formula
C17H17N5O
Molecular Weight
307.350000
Exact Mass
307.143310
SMILES
C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)C3=CC=CC=C3CO
InChI
InChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)
InChIKey
MDGIEDNDSFMSLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
89.37
TPSA
96.95
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01
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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