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CAS 288591-93-5 Leu-AMS molecular structure lightbox
CAS RN: 288591-93-5

Leu-AMS

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260312 1mg In stock Shanghai, Shandong Inquiry
Batchno.20250704 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS288591-93-5
  • Purity/Analytical Methods: >99.0%
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288591-93-5 / [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2-amino-4-methylpentanoyl]sulfamate

Standard CAS: 288591-93-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
288591-93-5
Multi CAS
No
Molecular Formula
C16H25N7O7S
Molecular Weight
459.500000
Exact Mass
459.153617
InChI
InChI=1S/C16H25N7O7S/c1-7(2)3-8(17)15(26)22-31(27,28)29-4-9-11(24)12(25)16(30-9)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t8-,9+,11+,12+,16+/m0/s1
InChIKey
XFEDFDTWJLGMBO-LEJQEAHTSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
9
Fraction Csp3
0.62
Rotatable bonds
8
H-bond acceptors
13
H-bond donors
5
Molar refractivity
106.1
TPSA
217.8

LogP / Solubility

WLOGP
-2.22
MLOGP
-1.92
XLogP3
-2
Consensus LogP
-2.05
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
Soluble

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)
-7.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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