CAS RN: 827030-83-1
2-chloro-N-(4-hydroxyphenyl)-N-methylquinazolin-4-amine
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.20250822 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS827030-83-1
- Purity/Analytical Methods: >99.0%
827030-83-1 / 4-[(2-chloroquinazolin-4-yl)-methylamino]phenol
Basic Information
CAS
827030-83-1
Multi CAS
Yes
Molecular Formula
C15H12CLN3O
Molecular Weight
285.730000
Exact Mass
285.066890
InChI
InChI=1S/C15H12ClN3O/c16-15-18-13-4-2-1-3-12(13)14(19-15)9-17-10-5-7-11(20)8-6-10/h1-8,17,20H,9H2
InChIKey
JARWUXKDYXRIAO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.72
TPSA
49.25
LogP / Solubility
WLOGP
3.76
MLOGP
3.32
XLogP3
4.2
Consensus LogP
3.76
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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