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CAS 2160551-35-7 4-Methoxyphenyl 3-O-Allyl-2-O-benzyl-4,6-O-benzylidene-β-D-galactopyranoside molecular structure lightbox
CAS RN: 2160551-35-7

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

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-103547
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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: >97%
  • 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 2160551-35-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

2160551-35-7 / 6-(4-methoxyphenoxy)-2-phenyl-7-phenylmethoxy-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Standard CAS: 2160551-35-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2160551-35-7
Multi CAS
No
Molecular Formula
C30H32O7
Molecular Weight
504.600000
Exact Mass
504.214803
SMILES
COC1=CC=C(C=C1)OC2C(C(C3C(O2)COC(O3)C4=CC=CC=C4)OCC=C)OCC5=CC=CC=C5
InChI
InChI=1S/C30H32O7/c1-3-18-32-27-26-25(20-34-29(37-26)22-12-8-5-9-13-22)36-30(35-24-16-14-23(31-2)15-17-24)28(27)33-19-21-10-6-4-7-11-21/h3-17,25-30H,1,18-20H2,2H3
InChIKey
ACACVISMIMMNCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
7
Molar refractivity
137.25
TPSA
64.61

LogP / Solubility

WLOGP
5.07
MLOGP
4.5
XLogP3
4.9
Consensus LogP
4.82
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.35
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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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