CAS 428816-48-2 2,3,4,6-Tetra-O-benzoyl-α-D-glucopyranosyl p-Trifluoromethylbenzylthio-N-(p-trifluoromethylphenyl)formimidate molecular structure

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CAS RN: 428816-48-2

2,3,4,6-Tetra-O-benzoyl-α-D-glucopyranosyl p-Trifluoromethylbenzylthio-N-(p-trifluoromethylphenyl)formimidate

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1 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Lead Time	Inquiry
Batchno.20260507	200mg	Out of stock	8-10 business days	Inquiry

Product code: SSC-151170

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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: >96%
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 428816-48-2
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	>96%	0 Out of Stock	Beijing	Inquiry

428816-48-2 / [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[N-[4-(trifluoromethyl)phenyl]-C-[[4-(trifluoromethyl)phenyl]methylsulfanyl]carbonimidoyl]oxyoxan-2-yl]methyl benzoate

Standard CAS: 428816-48-2 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

428816-48-2

Multi CAS

Yes

Molecular Formula

C50F6H37NO10S

Molecular Weight

957.900000

Exact Mass

957.204237

InChI

InChI=1S/C50H37F6NO10S/c51-49(52,53)36-23-21-31(22-24-36)30-68-48(57-38-27-25-37(26-28-38)50(54,55)56)67-47-42(66-46(61)35-19-11-4-12-20-35)41(65-45(60)34-17-9-3-10-18-34)40(64-44(59)33-15-7-2-8-16-33)39(63-47)29-62-43(58)32-13-5-1-6-14-32/h1-28,39-42,47H,29-30H2/t39-,40-,41+,42-,47-/m1/s1

InChIKey

HTRJVXKRCWWVSR-KPAAGLOJSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.18

Rotatable bonds

H-bond acceptors

Molar refractivity

234.68

TPSA

136.02

LogP / Solubility

WLOGP

10.92

MLOGP

9.7

XLogP3

12.4

Consensus LogP

11.01

Log S (ESOL)

-12.19

Class (ESOL)

Insoluble

Log S (Ali)

-15.3

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-16.51

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

Yes

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-0.81

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Egan

Muegge

Bioavailability score

0.17

Brenk alerts

Leadlikeness

Synthetic Accessibility

8.5

2,3,4,6-Tetra-O-benzoyl-α-D-glucopyranosyl p-Trifluoromethylbenzylthio-N-(p-trifluoromethylphenyl)formimidate

Product Availability

Historical Supply Reference

Reference Pack Sizes

428816-48-2 / [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[N-[4-(trifluoromethyl)phenyl]-C-[[4-(trifluoromethyl)phenyl]methylsulfanyl]carbonimidoyl]oxyoxan-2-yl]methyl benzoate

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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