![CAS 103733-49-9 QUINAPRIL RELATED COMPOUND A (50 MG) (ETHYL[3S-[2(R*),3A,11A BETA]]-1,3,4,6,11,11A-HEXAHYDRO-3-METHYL-1,4-DIOXO-ALPHA-(2-PHENY-LETHYL)-2H-PYRAZINO[1,2-B]ISOQUINOLINE-2-ACETATE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/103733-49-9.gif)
CAS RN: 103733-49-9
QUINAPRIL RELATED COMPOUND A (50 MG) (ETHYL[3S-[2(R*),3A,11A BETA]]-1,3,4,6,11,11A-HEXAHYDRO-3-METHYL-1,4-DIOXO-ALPHA-(2-PHENY-LETHYL)-2H-PYRAZINO[1,2-B]ISOQUINOLINE-2-ACETATE)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260505 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS103733-49-9
- Purity/Analytical Methods: >99.0%
103733-49-9 / ethyl (2S)-2-[(3S,11aS)-3-methyl-1,4-dioxo-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinolin-2-yl]-4-phenylbutanoate
CHEMBL952 | DIKETOPIPERAZINE DERIVATIVE OF QUINAPRIL
Basic Information
CAS
103733-49-9
Multi CAS
Yes
Molecular Formula
C25H28N2O4
Molecular Weight
420.500000
Exact Mass
420.204907
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)N3CC4=CC=CC=C4C[C@H]3C2=O)C
InChI
InChI=1S/C25H28N2O4/c1-3-31-25(30)21(14-13-18-9-5-4-6-10-18)27-17(2)23(28)26-16-20-12-8-7-11-19(20)15-22(26)24(27)29/h4-12,17,21-22H,3,13-16H2,1-2H3/t17-,21-,22-/m0/s1
InChIKey
NDDYKENLGBOEPD-HSQYWUDLSA-N
Synonyms
CHEMBL952
DIKETOPIPERAZINE DERIVATIVE OF QUINAPRIL
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
115.98
TPSA
66.92
LogP / Solubility
WLOGP
2.74
MLOGP
2.43
XLogP3
3.7
Consensus LogP
2.96
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 103744-84-9 (2aS,4aβ,7aβ,7bβ)-Octahydro-3α-chloro-2H-1,7-dioxacyclopenta[cd]indene-2aβ,4β-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/103744-84-9(2).gif)
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