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CAS 138906-41-9 4-Methoxyphenyl 3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranoside molecular structure lightbox
CAS RN: 138906-41-9

4-Methoxyphenyl 3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranoside

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260528 1g In stock Shanghai Inquiry
  • Product code: SSC-049045
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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 138906-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

138906-41-9 / [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate

Standard CAS: 138906-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138906-41-9
Multi CAS
No
Molecular Formula
C27H27NO11
Molecular Weight
541.500000
Exact Mass
541.158411
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)OC)N3C(=O)C4=CC=CC=C4C3=O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C27H27NO11/c1-14(29)35-13-21-23(36-15(2)30)24(37-16(3)31)22(27(39-21)38-18-11-9-17(34-4)10-12-18)28-25(32)19-7-5-6-8-20(19)26(28)33/h5-12,21-24,27H,13H2,1-4H3/t21-,22-,23-,24-,27-/m1/s1
InChIKey
YKSPBIYKEHIGHE-XMPCBSOPSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
11
Molar refractivity
130.75
TPSA
143.97

LogP / Solubility

WLOGP
1.89
MLOGP
1.7
XLogP3
2.3
Consensus LogP
1.96
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.68

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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