CAS RN: 1361993-37-4
Ac4GlcNAl
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250704 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1361993-37-4
- Purity/Analytical Methods: >99.0%
1361993-37-4 / [(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-(pent-4-ynoylamino)oxan-2-yl]methyl acetate
Basic Information
CAS
1361993-37-4
Multi CAS
No
Molecular Formula
C19H25NO10
Molecular Weight
427.400000
Exact Mass
427.147846
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)NC(=O)CCC#C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C19H25NO10/c1-6-7-8-15(25)20-16-18(28-12(4)23)17(27-11(3)22)14(9-26-10(2)21)30-19(16)29-13(5)24/h1,14,16-19H,7-9H2,2-5H3,(H,20,25)/t14-,16-,17-,18-,19?/m1/s1
InChIKey
PODQGPKRSTUNAT-ULAPBGCESA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.63
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
1
Molar refractivity
98.17
TPSA
143.53
LogP / Solubility
WLOGP
-0.4
MLOGP
-0.33
XLogP3
0.6
Consensus LogP
-0.04
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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)
-5.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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