CAS RN: 917369-31-4
N-(4-Methoxyphenyl)-N,2-dimethyl-4-quinazolinamine hydrochloride
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS917369-31-4
- Purity/Analytical Methods: >99.0%
917369-31-4 / N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;hydrochloride
Basic Information
CAS
917369-31-4
Multi CAS
Yes
Molecular Formula
C17H18CLN3O
Molecular Weight
315.800000
Exact Mass
315.113840
InChI
InChI=1S/C17H17N3O.ClH/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13;/h4-11H,1-3H3;1H
InChIKey
VYUWDIKZJLOZJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
92.58
TPSA
38.25
LogP / Solubility
WLOGP
4.14
MLOGP
3.65
XLogP3
4.14
Consensus LogP
3.98
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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