![CAS 142715-48-8 4-(3,4-Dihydro-6,7-diMethoxy-2(1H)-isoquinolinyl)-N-[2-(3,4-diMethoxyphenyl)ethyl]-6,7-diMethoxy-2-quinazolinaMine Monohydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142715-48-8.gif)
CAS RN: 142715-48-8
4-(3,4-Dihydro-6,7-diMethoxy-2(1H)-isoquinolinyl)-N-[2-(3,4-diMethoxyphenyl)ethyl]-6,7-diMethoxy-2-quinazolinaMine Monohydrochloride
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.20250124 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS142715-48-8
- Purity/Analytical Methods: >99.0%
142715-48-8 / 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine;hydrochloride
Basic Information
CAS
142715-48-8
Multi CAS
No
Molecular Formula
C31H37ClN4O6
Molecular Weight
597.100000
Exact Mass
596.240163
SMILES
COC1=C(C=C(C=C1)CCNC2=NC3=CC(=C(C=C3C(=N2)N4CCC5=CC(=C(C=C5C4)OC)OC)OC)OC)OC.Cl
InChI
InChI=1S/C31H36N4O6.ClH/c1-36-24-8-7-19(13-25(24)37-2)9-11-32-31-33-23-17-29(41-6)28(40-5)16-22(23)30(34-31)35-12-10-20-14-26(38-3)27(39-4)15-21(20)18-35;/h7-8,13-17H,9-12,18H2,1-6H3,(H,32,33,34);1H
InChIKey
WWCHXVYTCMPAMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
22
Fraction Csp3
0.35
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
1
Molar refractivity
165.93
TPSA
96.43
LogP / Solubility
WLOGP
5.32
MLOGP
4.73
XLogP3
5.32
Consensus LogP
5.12
Log S (ESOL)
-6.56
Class (ESOL)
Insoluble
Log S (Ali)
-8.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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