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CAS 182912-74-9 (PRO18,ASP21)-AMYLOID BETA-PROTEIN (17-21) molecular structure lightbox
CAS RN: 182912-74-9

(PRO18,ASP21)-AMYLOID BETA-PROTEIN (17-21)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS182912-74-9
  • Purity/Analytical Methods: >99.0%
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182912-74-9 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]butanedioic acid

Standard CAS: 182912-74-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182912-74-9
Multi CAS
No
Molecular Formula
C33H43N5O8
Molecular Weight
637.700000
Exact Mass
637.311163
SMILES
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)O)C(=O)O)N
InChI
InChI=1S/C33H43N5O8/c1-20(2)16-23(34)32(44)38-15-9-14-27(38)31(43)36-25(18-22-12-7-4-8-13-22)29(41)35-24(17-21-10-5-3-6-11-21)30(42)37-26(33(45)46)19-28(39)40/h3-8,10-13,20,23-27H,9,14-19,34H2,1-2H3,(H,35,41)(H,36,43)(H,37,42)(H,39,40)(H,45,46)/t23-,24-,25-,26-,27-/m0/s1
InChIKey
RALAXQOLLAQGTI-IRGGMKSGSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
16
H-bond acceptors
7
H-bond donors
6
Molar refractivity
168.14
TPSA
208.23

LogP / Solubility

WLOGP
0.85
MLOGP
0.8
XLogP3
-1.5
Consensus LogP
0.05
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.01

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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