CAS RN: 25875-99-4
N-ACETYL-2,3-DEHYDRO-2-DEOXYNEURAMINIC ACID, METHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250412 | 1g / 5g / 10g | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS25875-99-4
- Purity/Analytical Methods: >99.0%
25875-99-4 / methyl 3-acetamido-4-hydroxy-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate
Basic Information
CAS
25875-99-4
Multi CAS
No
Molecular Formula
C12H19NO8
Molecular Weight
305.280000
Exact Mass
305.111067
SMILES
CC(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)OC)O
InChI
InChI=1S/C12H19NO8/c1-5(15)13-9-6(16)3-8(12(19)20-2)21-11(9)10(18)7(17)4-14/h3,6-7,9-11,14,16-18H,4H2,1-2H3,(H,13,15)
InChIKey
SPILYXOSOLBQAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
5
Molar refractivity
67.68
TPSA
145.55
LogP / Solubility
WLOGP
-2.98
MLOGP
-2.61
XLogP3
-2.2
Consensus LogP
-2.6
Log S (ESOL)
0.47
Class (ESOL)
Highly soluble
Log S (Ali)
0.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.23
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)
-6.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
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