CAS RN: 60280-57-1
T EPITOPE, SERINYL
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.20250604 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS60280-57-1
- Purity/Analytical Methods: >99.0%
60280-57-1 / 3-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminopropanoic acid
Basic Information
CAS
60280-57-1
Multi CAS
Yes
Molecular Formula
C17H30N2O13
Molecular Weight
470.400000
Exact Mass
470.174789
InChI
InChI=1S/C17H30N2O13/c1-5(22)19-9-14(32-17-13(26)12(25)10(23)7(2-20)31-17)11(24)8(3-21)30-16(9)29-4-6(18)15(27)28/h6-14,16-17,20-21,23-26H,2-4,18H2,1H3,(H,19,22)(H,27,28)
InChIKey
XDMCWZFLLGVIID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.88
Rotatable bonds
9
H-bond acceptors
13
H-bond donors
9
Molar refractivity
99.56
TPSA
250.72
LogP / Solubility
WLOGP
-5.82
MLOGP
-5.09
XLogP3
-7.2
Consensus LogP
-6.04
Log S (ESOL)
1.5
Class (ESOL)
Highly soluble
Log S (Ali)
0.78
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.03
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.72
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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