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CAS 1819986-22-5 amyloid P-IN-1 molecular structure lightbox
CAS RN: 1819986-22-5

amyloid P-IN-1

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1819986-22-5
  • Purity/Analytical Methods: >99.0%
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1819986-22-5 / oxan-4-yloxycarbonyloxymethyl (2R)-1-[6-[(2R)-2-(oxan-4-yloxycarbonyloxymethoxycarbonyl)pyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate

Standard CAS: 1819986-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1819986-22-5
Multi CAS
No
Molecular Formula
C30H44N2O14
Molecular Weight
656.700000
Exact Mass
656.279254
SMILES
C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)OCOC(=O)OC3CCOCC3)C(=O)OCOC(=O)OC4CCOCC4
InChI
InChI=1S/C30H44N2O14/c33-25(31-13-3-5-23(31)27(35)41-19-43-29(37)45-21-9-15-39-16-10-21)7-1-2-8-26(34)32-14-4-6-24(32)28(36)42-20-44-30(38)46-22-11-17-40-18-12-22/h21-24H,1-20H2/t23-,24-/m1/s1
InChIKey
KSKLDMGKWDUQCT-DNQXCXABSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.8
Rotatable bonds
13
H-bond acceptors
14
Molar refractivity
152.67
TPSA
182.74

LogP / Solubility

WLOGP
2.19
MLOGP
1.99
XLogP3
2.3
Consensus LogP
2.16
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-5.17

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
5.5

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