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CAS 74258-86-9 Alacepril molecular structure lightbox
CAS RN: 74258-86-9

Alacepril

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6 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 100mg Out of stock Inquiry
Batchno.20260606 1g Out of stock Inquiry
Batchno.20251129 1mg In stock Shanghai Inquiry
Batchno.20250204 250mg Out of stock Inquiry
Batchno.20251020 50mg Out of stock Inquiry
Batchno.20260318 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS74258-86-9
  • Purity/Analytical Methods: >99.0%
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74258-86-9 / 2-[[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Standard CAS: 74258-86-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74258-86-9
Multi CAS
Yes
Molecular Formula
C20H26N2O5S
Molecular Weight
406.500000
Exact Mass
406.156243
InChI
InChI=1S/C20H26N2O5S/c1-13(12-28-14(2)23)19(25)22-10-6-9-17(22)18(24)21-16(20(26)27)11-15-7-4-3-5-8-15/h3-5,7-8,13,16-17H,6,9-12H2,1-2H3,(H,21,24)(H,26,27)
InChIKey
FHHHOYXPRDYHEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
106.75
TPSA
103.78

LogP / Solubility

WLOGP
1.71
MLOGP
1.53
XLogP3
2.1
Consensus LogP
1.78
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
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)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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