CAS RN: 349554-02-5
ENALAPRIL-D5 MALEATE (PHENYL-D5)
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.20250622 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS349554-02-5
- Purity/Analytical Methods: >99.0%
349554-02-5 / (Z)-but-2-enedioic acid;(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Basic Information
CAS
349554-02-5
Multi CAS
Yes
Molecular Formula
C24H32N2O9
Molecular Weight
497.500000
Exact Mass
497.242164
InChI
InChI=1S/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,16-,17-;/m0./s1/i4D,5D,6D,8D,9D;
InChIKey
OYFJQPXVCSSHAI-DQNQMXAMSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
4
Molar refractivity
124.56
TPSA
170.54
LogP / Solubility
WLOGP
1.32
MLOGP
1.19
XLogP3
1.32
Consensus LogP
1.28
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 349669-77-8 4-(1-Pyrenyl)-N,N-bis[4-(1-pyrenyl)phenyl]benzenamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/349669-77-8.gif)