CAS RN: 76362-29-3
N1-methyl-N1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1,3-propanediamine
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.20250801 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS76362-29-3
- Purity/Analytical Methods: >99.0%
76362-29-3 / 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
Basic Information
CAS
76362-29-3
Multi CAS
No
Molecular Formula
C14H21N5O2
Molecular Weight
291.350000
Exact Mass
291.169525
InChI
InChI=1S/C14H21N5O2/c1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14/h7-8H,4-6,15H2,1-3H3,(H2,16,17,18)
InChIKey
HVTJQTPDNHTWGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
84
TPSA
99.52
LogP / Solubility
WLOGP
1.01
MLOGP
0.9
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78
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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