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CAS 3601-36-3 Methyl 2,3,6-Tri-O-benzoyl-α-D-galactopyranoside molecular structure lightbox
CAS RN: 3601-36-3

Methyl 2,3,6-Tri-O-benzoyl-α-D-galactopyranoside

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251024 25g In stock Shanghai Inquiry
Batchno.20250922 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-143113
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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 3601-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

3601-36-3 / (4,5-dibenzoyloxy-3-hydroxy-6-methoxyoxan-2-yl)methyl benzoate

Standard CAS: 3601-36-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3601-36-3
Multi CAS
Yes
Molecular Formula
C28H26O9
Molecular Weight
506.500000
Exact Mass
506.157682
InChI
InChI=1S/C28H26O9/c1-33-28-24(37-27(32)20-15-9-4-10-16-20)23(36-26(31)19-13-7-3-8-14-19)22(29)21(35-28)17-34-25(30)18-11-5-2-6-12-18/h2-16,21-24,28-29H,17H2,1H3
InChIKey
WXFFEILSURAFKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
1
Molar refractivity
129.69
TPSA
117.59

LogP / Solubility

WLOGP
3.03
MLOGP
2.7
XLogP3
4.1
Consensus LogP
3.28
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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