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CAS 1261568-35-7 (2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate molecular structure lightbox
CAS RN: 1261568-35-7

(2R,3R,4R,5R,6R)-5-acetaMido-2-(acetoxyMethyl)-6-(2-(2-(benzyloxycarbonylaMino)ethoxy)ethoxy)tetrahydro-2H-pyran-3,4-diyl diacetate

Product Availability

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10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250527 1g In stock Inquiry
Batchno.20250508 250mg In stock Inquiry
Batchno.20250629 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250623 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260218 100g In stock Shanghai Inquiry
Batchno.20260516 10g In stock Shanghai Inquiry
Batchno.20250227 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260316 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250223 25g In stock Shanghai Inquiry
Batchno.20260227 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-032627
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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 1261568-35-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1261568-35-7 / [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]oxan-2-yl]methyl acetate

Standard CAS: 1261568-35-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261568-35-7
Multi CAS
No
Molecular Formula
C26H36N2O12
Molecular Weight
568.600000
Exact Mass
568.226825
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCOCCNC(=O)OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C26H36N2O12/c1-16(29)28-22-24(39-19(4)32)23(38-18(3)31)21(15-36-17(2)30)40-25(22)35-13-12-34-11-10-27-26(33)37-14-20-8-6-5-7-9-20/h5-9,21-25H,10-15H2,1-4H3,(H,27,33)(H,28,29)
InChIKey
AQFKCXLKNLSQJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
14
H-bond acceptors
12
H-bond donors
2
Molar refractivity
135.41
TPSA
174.02

LogP / Solubility

WLOGP
0.6
MLOGP
0.57
XLogP3
0.2
Consensus LogP
0.46
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.76

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
6.5

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