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CAS 159922-68-6 4-Methoxyphenyl 2,6-Di-O-benzyl-3,4-O-isopropylidene-β-D-galactopyranoside molecular structure lightbox
CAS RN: 159922-68-6

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-067909
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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: 1g
  • 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 159922-68-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

159922-68-6 / (3aS,4R,6S,7R,7aS)-6-(4-methoxyphenoxy)-2,2-dimethyl-7-phenylmethoxy-4-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

Standard CAS: 159922-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159922-68-6
Multi CAS
No
Molecular Formula
C30H34O7
Molecular Weight
506.600000
Exact Mass
506.230453
SMILES
CC1(O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O1)OCC3=CC=CC=C3)OC4=CC=C(C=C4)OC)COCC5=CC=CC=C5)C
InChI
InChI=1S/C30H34O7/c1-30(2)36-26-25(20-32-18-21-10-6-4-7-11-21)35-29(34-24-16-14-23(31-3)15-17-24)28(27(26)37-30)33-19-22-12-8-5-9-13-22/h4-17,25-29H,18-20H2,1-3H3/t25-,26+,27+,28-,29-/m1/s1
InChIKey
PGZOKVMOUQDWPV-JYJZCUDQSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.4
Rotatable bonds
10
H-bond acceptors
7
Molar refractivity
137.22
TPSA
64.61

LogP / Solubility

WLOGP
5.12
MLOGP
4.54
XLogP3
4.8
Consensus LogP
4.82
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7.5

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