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CAS 143536-99-6 4-Methoxyphenyl 2,3,4,6-Tetra-O-benzyl-β-D-galactopyranoside molecular structure lightbox
CAS RN: 143536-99-6

4-Methoxyphenyl 2,3,4,6-Tetra-O-benzyl-β-D-galactopyranoside

  • Product code: SSC-054955
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 143536-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

143536-99-6 / (2S,3R,4S,5S,6R)-2-(4-methoxyphenoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Standard CAS: 143536-99-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143536-99-6
Multi CAS
No
Molecular Formula
C41H42O7
Molecular Weight
646.800000
Exact Mass
646.293054
SMILES
COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI
InChI=1S/C41H42O7/c1-42-35-22-24-36(25-23-35)47-41-40(46-29-34-20-12-5-13-21-34)39(45-28-33-18-10-4-11-19-33)38(44-27-32-16-8-3-9-17-32)37(48-41)30-43-26-31-14-6-2-7-15-31/h2-25,37-41H,26-30H2,1H3/t37-,38+,39+,40-,41-/m1/s1
InChIKey
QXYYOIDTAHLOQE-WQLDJJBGSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
30
Fraction Csp3
0.27
Rotatable bonds
16
H-bond acceptors
7
Molar refractivity
183.44
TPSA
64.61

LogP / Solubility

WLOGP
7.77
MLOGP
6.89
XLogP3
7.3
Consensus LogP
7.32
Log S (ESOL)
-8.15
Class (ESOL)
Insoluble
Log S (Ali)
-10.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8

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