CAS RN: 14086-92-1
1,3,4,6-Tetra-O-acetyl-2-benzoylamino-2-deoxy-D-glucopyranoside
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260503 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250921 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250412 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20250123 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20251209 | 5g | In stock | Tianjin | Inquiry |
- Product code: starshine_CAS14086-92-1
- Purity/Analytical Methods: >99.0%
14086-92-1 / [(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-benzamidooxan-2-yl]methyl acetate
Basic Information
CAS
14086-92-1
Multi CAS
No
Molecular Formula
C21H25NO10
Molecular Weight
451.400000
Exact Mass
451.147846
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)NC(=O)C2=CC=CC=C2)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H25NO10/c1-11(23)28-10-16-18(29-12(2)24)19(30-13(3)25)17(21(32-16)31-14(4)26)22-20(27)15-8-6-5-7-9-15/h5-9,16-19,21H,10H2,1-4H3,(H,22,27)/t16-,17-,18-,19-,21?/m1/s1
InChIKey
YCDLVTWRPTYDJW-RBTJGNDVSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
1
Molar refractivity
105.86
TPSA
143.53
LogP / Solubility
WLOGP
0.5
MLOGP
0.47
XLogP3
1.7
Consensus LogP
0.89
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-5.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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- Product Code: SSC-051419
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