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CAS 13089-18-4 PHENYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE molecular structure lightbox
CAS RN: 13089-18-4

PHENYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13089-18-4
  • Purity/Analytical Methods: >99.0%
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13089-18-4 / N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide

Standard CAS: 13089-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13089-18-4
Multi CAS
No
Molecular Formula
C14H19NO6
Molecular Weight
297.300000
Exact Mass
297.121237
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC2=CC=CC=C2)CO)O)O
InChI
InChI=1S/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)/t10-,11-,12+,13-,14+/m1/s1
InChIKey
ZUJDLWWYFIZERS-RGDJUOJXSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
72.44
TPSA
108.25

LogP / Solubility

WLOGP
-0.99
MLOGP
-0.86
XLogP3
-0.9
Consensus LogP
-0.92
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-5.24

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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