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CAS 142344-87-4 GP 531 molecular structure lightbox
CAS RN: 142344-87-4

GP 531

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS142344-87-4
  • Purity/Analytical Methods: >99.0%
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142344-87-4 / 5-amino-1-[(2R,3R,4S,5R)-5-[(benzylamino)methyl]-3,4-dihydroxyoxolan-2-yl]imidazole-4-carboxamide

Standard CAS: 142344-87-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142344-87-4
Multi CAS
No
Molecular Formula
C16H21N5O4
Molecular Weight
347.370000
Exact Mass
347.159354
SMILES
C1=CC=C(C=C1)CNC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC(=C3N)C(=O)N)O)O
InChI
InChI=1S/C16H21N5O4/c17-14-11(15(18)24)20-8-21(14)16-13(23)12(22)10(25-16)7-19-6-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,19,22-23H,6-7,17H2,(H2,18,24)/t10-,12-,13-,16-/m1/s1
InChIKey
LECUGLHMNZTZQB-XNIJJKJLSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
89.23
TPSA
148.65

LogP / Solubility

WLOGP
-1.03
MLOGP
-0.89
XLogP3
-0.4
Consensus LogP
-0.77
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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