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CAS 1030262-99-7 2-deoxy-2-[(1-oxo-4-pentyn-1-yl)amino]-D-glucose molecular structure lightbox
CAS RN: 1030262-99-7

2-deoxy-2-[(1-oxo-4-pentyn-1-yl)amino]-D-glucose

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 100mg In stock Inquiry
Batchno.20260621 25mg In stock Inquiry
Batchno.20250626 500mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-004445
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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: 0.25g
  • 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 1030262-99-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

1030262-99-7 / N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]pent-4-ynamide

SCHEMBL9923625

Standard CAS: 1030262-99-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1030262-99-7
Multi CAS
Yes
Molecular Formula
C11H17NO6
Molecular Weight
259.260000
Exact Mass
259.105587
SMILES
C#CCCC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C11H17NO6/c1-2-3-4-9(16)12-7(5-13)10(17)11(18)8(15)6-14/h1,5,7-8,10-11,14-15,17-18H,3-4,6H2,(H,12,16)/t7-,8+,10+,11+/m0/s1
InChIKey
XPUPYWMDKTXDBF-SCVMZPAESA-N
Synonyms
SCHEMBL9923625

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.64
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
5
Molar refractivity
61.17
TPSA
127.09

LogP / Solubility

WLOGP
-2.84
MLOGP
-2.49
XLogP3
-2.9
Consensus LogP
-2.74
Log S (ESOL)
0.87
Class (ESOL)
Highly soluble
Log S (Ali)
0.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly 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)
-6.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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