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CAS 183745-81-5 AMYLOID BETA-PROTEIN (1-15) molecular structure lightbox
CAS RN: 183745-81-5

AMYLOID BETA-PROTEIN (1-15)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS183745-81-5
  • Purity/Analytical Methods: >99.0%
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183745-81-5 / (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoic acid

Standard CAS: 183745-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183745-81-5
Multi CAS
No
Molecular Formula
C78H107N25O27
Molecular Weight
1826.800000
Exact Mass
1825.776823
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C78H107N25O27/c1-37(2)63(76(128)101-54(26-43-31-85-36-90-43)74(126)99-52(24-41-29-83-34-88-41)72(124)96-49(77(129)130)15-18-57(80)106)103-69(121)48(17-20-60(110)111)95-70(122)50(23-40-11-13-44(105)14-12-40)92-58(107)32-87-66(118)56(33-104)102-75(127)55(28-62(114)115)100-73(125)53(25-42-30-84-35-89-42)98-67(119)46(10-7-21-86-78(81)82)94-71(123)51(22-39-8-5-4-6-9-39)97-68(120)47(16-19-59(108)109)93-64(116)38(3)91-65(117)45(79)27-61(112)113/h4-6,8-9,11-14,29-31,34-38,45-56,63,104-105H,7,10,15-28,32-33,79H2,1-3H3,(H2,80,106)(H,83,88)(H,84,89)(H,85,90)(H,87,118)(H,91,117)(H,92,107)(H,93,116)(H,94,123)(H,95,122)(H,96,124)(H,97,120)(H,98,119)(H,99,126)(H,100,125)(H,101,128)(H,102,127)(H,103,121)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,129,130)(H4,81,82,86)/t38-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,63-/m0/s1
InChIKey
CSCAPVBQOYQJJF-NOZGEEMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
130
Aromatic heavy atom count
27
Fraction Csp3
0.46
Rotatable bonds
58
H-bond acceptors
27
H-bond donors
29
Molar refractivity
445.97
TPSA
851.41

LogP / Solubility

WLOGP
-9.22
MLOGP
-7.92
XLogP3
-9.7
Consensus LogP
-8.95
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.84
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)
-20.41

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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