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CAS 80035-31-0 Benzyl 2-Deoxy-2-phthalimido-3,4,6-tri-O-acetyl–D-glucopyranoside molecular structure lightbox
CAS RN: 80035-31-0

Benzyl 2-Deoxy-2-phthalimido-3,4,6-tri-O-acetyl–D-glucopyranoside

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251128 100mg In stock Shanghai Inquiry
Batchno.20251123 1g In stock Shanghai Inquiry
Batchno.20250114 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260522 100mg / 500mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-189037
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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 80035-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

80035-31-0 / [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-phenylmethoxyoxan-2-yl]methyl acetate

Standard CAS: 80035-31-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80035-31-0
Multi CAS
Yes
Molecular Formula
C27H27NO10
Molecular Weight
525.500000
Exact Mass
525.163496
InChI
InChI=1S/C27H27NO10/c1-15(29)34-14-21-23(36-16(2)30)24(37-17(3)31)22(27(38-21)35-13-18-9-5-4-6-10-18)28-25(32)19-11-7-8-12-20(19)26(28)33/h4-12,21-24,27H,13-14H2,1-3H3/t21-,22-,23-,24-,27-/m1/s1
InChIKey
ZBWDFGPGCXFUBR-XMPCBSOPSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
10
Molar refractivity
128.36
TPSA
134.74

LogP / Solubility

WLOGP
2.02
MLOGP
1.82
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
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
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.49

Drug-likeness / Medicinal Chemistry

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

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