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CAS 3554-93-6 BENZYL-2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE molecular structure lightbox
CAS RN: 3554-93-6

BENZYL-2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251212 100mg In stock Shanghai Inquiry
Batchno.20260322 25mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260602 100mg Out of stock Inquiry
Batchno.20251110 25mg Out of stock Inquiry
Batchno.20250210 5mg Out of stock Inquiry
  • Product code: starshine_CAS3554-93-6
  • Purity/Analytical Methods: >99.0%
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3554-93-6 / N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide

Standard CAS: 3554-93-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3554-93-6
Multi CAS
Yes
Molecular Formula
C15H21NO6
Molecular Weight
311.330000
Exact Mass
311.136887
InChI
InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13+,14-,15+/m1/s1
InChIKey
SKOZFDIGKDPQBO-QMIVOQANSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
4
Molar refractivity
76.6
TPSA
108.25

LogP / Solubility

WLOGP
-0.85
MLOGP
-0.74
XLogP3
-0.7
Consensus LogP
-0.76
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-5.22

Drug-likeness / Medicinal Chemistry

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

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