CAS RN: 1197196-47-6
TM2-115
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
- Product code: starshine_CAS1197196-47-6
- Purity/Analytical Methods: >99.0%
1197196-47-6 / 6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine
tm2-115 | 7-(Benzyloxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine | CHEMBL1875655
Basic Information
CAS
1197196-47-6
Multi CAS
Yes
Molecular Formula
C28H38N6O2
Molecular Weight
490.600000
Exact Mass
490.305624
SMILES
CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCC5=CC=CC=C5
InChI
InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-20-21-8-5-4-6-9-21)25(35-3)18-23(24)27(31-28)29-22-10-14-33(2)15-11-22/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)
InChIKey
BSZDSEMSNHXVRW-UHFFFAOYSA-N
Synonyms
tm2-115
7-(Benzyloxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
CHEMBL1875655
[7-Benzyloxy-6-methoxy-2-(1-methyl-azepan-4-yl)-quinazolin-4-yl]-(1-methyl-piperidin-4-yl)-amine
starbld0040757
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
1
Molar refractivity
145.33
TPSA
65.99
LogP / Solubility
WLOGP
3.87
MLOGP
3.44
XLogP3
4.5
Consensus LogP
3.94
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
-
4Z,7Z,10Z,13Z,16Z,19Z-DOCOSAHEXAENOIC-21,21,22,22,22-D5 ACID
- CAS RN: 1197205-71-2
- Product Code: starshine_CAS1197205-71-2
- Purity/Analytical method: >99.0%
-
cis-5,8,11,14,17-Eicosapentaenoic acid-[19,19,20,20,20-D5]
- CAS RN: 1197205-73-4
- Product Code: starshine_CAS1197205-73-4
- Purity/Analytical method: >99.0%
-
-
(1S)-5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-bis[2,4,6-tris(1-Methylethyl)phenyl]-[1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 1197214-47-3
- Product Code: starshine_CAS1197214-47-3
- Purity/Analytical method: >99.0%
-
![CAS 1197205-73-4 cis-5,8,11,14,17-Eicosapentaenoic acid-[19,19,20,20,20-D5] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1197205-73-4.gif)
![CAS 1197214-47-3 (1S)-5,5′,6,6′,7,7′,8,8′-octahydro-3,3′-bis[2,4,6-tris(1-Methylethyl)phenyl]-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1197214-47-3.gif)
