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CAS 146288-30-4 AMYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 146288-30-4

AMYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 1g In stock Inquiry
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Batchno.20260423 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS146288-30-4
  • Purity/Analytical Methods: >99.0%
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146288-30-4 / [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-pentoxyoxan-2-yl]methyl acetate

Standard CAS: 146288-30-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146288-30-4
Multi CAS
No
Molecular Formula
C19H31NO9
Molecular Weight
417.500000
Exact Mass
417.199882
SMILES
CCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI
InChI=1S/C19H31NO9/c1-6-7-8-9-25-19-16(20-11(2)21)18(28-14(5)24)17(27-13(4)23)15(29-19)10-26-12(3)22/h15-19H,6-10H2,1-5H3,(H,20,21)/t15-,16-,17-,18-,19-/m1/s1
InChIKey
VWZQHRQPSJCOMU-FVVUREQNSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.79
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
1
Molar refractivity
99.48
TPSA
126.46

LogP / Solubility

WLOGP
0.85
MLOGP
0.77
XLogP3
0.9
Consensus LogP
0.84
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-4.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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