![CAS 1159408-54-4 5-[(3,4,6-Tri-O-acetyl-2-acetylamido-2-deoxy-b-D-galactopyranosyl)oxy]pentanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159408-54-4.gif)
CAS RN: 1159408-54-4
5-[(3,4,6-Tri-O-acetyl-2-acetylamido-2-deoxy-b-D-galactopyranosyl)oxy]pentanoic acid
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260415 | 25mg / 50mg / 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-015732
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 0.1g, 100g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 2 In Stock | Beijing | Inquiry |
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
1159408-54-4 / 5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoic acid
5-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoic acid | 5-{[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]oxy}pentanoic acid | Beta-GalNAc-PerAc-C5-acid
Basic Information
CAS
1159408-54-4
Multi CAS
Yes
Molecular Formula
C19H29NO11
Molecular Weight
447.400000
Exact Mass
447.174061
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCCCC(=O)O)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C19H29NO11/c1-10(21)20-16-18(30-13(4)24)17(29-12(3)23)14(9-28-11(2)22)31-19(16)27-8-6-5-7-15(25)26/h14,16-19H,5-9H2,1-4H3,(H,20,21)(H,25,26)/t14-,16-,17+,18-,19-/m1/s1
InChIKey
CIMKBXFSXWOMDK-IQZDNPOKSA-N
Synonyms
5-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypentanoic acid
5-{[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]oxy}pentanoic acid
Beta-GalNAc-PerAc-C5-acid
SCHEMBL13187365
PB47844
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.74
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
2
Molar refractivity
101.45
TPSA
163.76
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.05
XLogP3
-0.7
Consensus LogP
-0.28
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-5.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1159408-65-7 4,8-Dioxa-12,16-diazaheneicosanamide, 6-amino-11,17-dioxo-6-[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-N-[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl… molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159408-65-7.gif)
![CAS 1159408-72-6 1-Pyrrolidinedodecanamide, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-… molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159408-72-6.gif)
