[email protected]
CAS 14218-11-2 2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYL BROMIDE molecular structure lightbox
CAS RN: 14218-11-2

2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYL BROMIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-052948
GET A QUOTE
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
Request Bulk Quote

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 14218-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Hong Kong Inquiry

14218-11-2 / [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-bromooxan-2-yl]methyl benzoate

Standard CAS: 14218-11-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14218-11-2
Multi CAS
No
Molecular Formula
C34H27BrO9
Molecular Weight
659.500000
Exact Mass
658.083850
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)Br)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C34H27BrO9/c35-30-29(44-34(39)25-19-11-4-12-20-25)28(43-33(38)24-17-9-3-10-18-24)27(42-32(37)23-15-7-2-8-16-23)26(41-30)21-40-31(36)22-13-5-1-6-14-22/h1-20,26-30H,21H2/t26-,27-,28+,29-,30+/m1/s1
InChIKey
WISFGQOOKBVKPD-RLXMVLCYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
24
Fraction Csp3
0.18
Rotatable bonds
9
H-bond acceptors
9
Molar refractivity
161.25
TPSA
114.43

LogP / Solubility

WLOGP
5.64
MLOGP
5.02
XLogP3
7.2
Consensus LogP
5.95
Log S (ESOL)
-7.29
Class (ESOL)
Insoluble
Log S (Ali)
-9.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-2.74

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
7.5

Customers Also Viewed

Get In Touch

Contact Us