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CAS 75847-73-3 Enalapril molecular structure lightbox
CAS RN: 75847-73-3

Enalapril

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251125 1g Out of stock Inquiry
Batchno.20251229 250mg In stock Shanghai Inquiry
Batchno.20251118 25g In stock Shanghai Inquiry
Batchno.20250907 5g In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS75847-73-3
  • Purity/Analytical Methods: >99.0%
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75847-73-3 / 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Standard CAS: 75847-73-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75847-73-3
Multi CAS
Yes
Molecular Formula
C20H28N2O5
Molecular Weight
376.400000
Exact Mass
376.199822
InChI
InChI=1S/C20H28N2O5/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/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
InChIKey
GBXSMTUPTTWBMN-XIRDDKMYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
100.15
TPSA
95.94

LogP / Solubility

WLOGP
1.6
MLOGP
1.43
XLogP3
-0.1
Consensus LogP
0.98
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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