![CAS 827031-26-5 4-[Methyl-(2-Methyl-quinazolin-4-yl)-aMino]-phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/827031-26-5.gif)
CAS RN: 827031-26-5
4-[Methyl-(2-Methyl-quinazolin-4-yl)-aMino]-phenol
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.20260619 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS827031-26-5
- Purity/Analytical Methods: >99.0%
827031-26-5 / 4-[methyl-(2-methylquinazolin-4-yl)amino]phenol
Basic Information
CAS
827031-26-5
Multi CAS
Yes
Molecular Formula
C16H15N3O
Molecular Weight
265.310000
Exact Mass
265.121512
InChI
InChI=1S/C16H15N3O/c1-11-17-15-6-4-3-5-14(15)16(18-11)19(2)12-7-9-13(20)10-8-12/h3-10,20H,1-2H3
InChIKey
SYAAUQJWTDEQLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.44
TPSA
49.25
LogP / Solubility
WLOGP
3.41
MLOGP
3.01
XLogP3
3.6
Consensus LogP
3.34
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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