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CAS 74259-08-8 desacetyl-alacepril molecular structure lightbox
CAS RN: 74259-08-8

desacetyl-alacepril

  • Product code: SSC-183710
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 74259-08-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry

74259-08-8 / (2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Standard CAS: 74259-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74259-08-8
Multi CAS
No
Molecular Formula
C18H24N2O4S
Molecular Weight
364.500000
Exact Mass
364.145678
InChI
InChI=1S/C18H24N2O4S/c1-12(11-25)17(22)20-9-5-8-15(20)16(21)19-14(18(23)24)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15+/m1/s1
InChIKey
GICPPYOSOHKZPY-SNPRPXQTSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
97.46
TPSA
86.71

LogP / Solubility

WLOGP
1.36
MLOGP
1.21
XLogP3
1.7
Consensus LogP
1.42
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-3.98

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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