![CAS 1216720-69-2 7H-Pyrrolo[3,2-f]quinazoline-1,3-diaMine, N3-cyclopropyl-7-[[4-(1-Methylethyl)phenyl]Methyl]-, (Hydrochloride) (1:2) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1216720-69-2.gif)
CAS RN: 1216720-69-2
7H-Pyrrolo[3,2-f]quinazoline-1,3-diaMine, N3-cyclopropyl-7-[[4-(1-Methylethyl)phenyl]Methyl]-, (Hydrochloride) (1:2)
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.20250921 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1216720-69-2
- Purity/Analytical Methods: >99.0%
1216720-69-2 / 3-N-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine;dihydrochloride
Basic Information
CAS
1216720-69-2
Multi CAS
No
Molecular Formula
C23H27Cl2N5
Molecular Weight
444.400000
Exact Mass
443.164351
SMILES
CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)NC5CC5)N.Cl.Cl
InChI
InChI=1S/C23H25N5.2ClH/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17;;/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27);2*1H
InChIKey
NNJTXSQXGHYXAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
19
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
130.22
TPSA
68.76
LogP / Solubility
WLOGP
5.76
MLOGP
5.09
XLogP3
5.76
Consensus LogP
5.54
Log S (ESOL)
-6.36
Class (ESOL)
Insoluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.93
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
BYK 191023 (hydrochloride)
- CAS RN: 1216722-25-6
- Product Code: starshine_CAS1216722-25-6
- Purity/Analytical method: >99.0%
-
Bumetanide-d5
- CAS RN: 1216739-35-3
- Product Code: starshine_CAS1216739-35-3
- Purity/Analytical method: >99.0%
-
1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate
- CAS RN: 1216744-19-2
- Product Code: SSC-024312
-
rac Rasagiline-13C3 Mesylate
- CAS RN: 1216757-55-9
- Product Code: starshine_CAS1216757-55-9
- Purity/Analytical method: >99.0%
-
-
2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-F]quinoxaline-d3
- CAS RN: 1216791-04-6
- Product Code: starshine_CAS1216791-04-6
- Purity/Analytical method: >99.0%
![CAS 1216744-19-2 1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1216744-19-2.gif)
![CAS 1216791-04-6 2-Amino-3,4,7,8-tetramethyl-3H-imidazo[4,5-F]quinoxaline-d3 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32507818.gif)