CAS RN: 200554-19-4
Alexa Fluor 350
Product Availability
Choose a grade to view its available package options.
7 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250412 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS200554-19-4
- Purity/Analytical Methods: >99.0%
200554-19-4 / 7-amino-3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-4-methyl-2-oxochromene-6-sulfonic acid
Basic Information
CAS
200554-19-4
Multi CAS
No
Molecular Formula
C16H14N2O9S
Molecular Weight
410.400000
Exact Mass
410.042001
SMILES
CC1=C(C(=O)OC2=CC(=C(C=C12)S(=O)(=O)O)N)CC(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C16H14N2O9S/c1-7-8-4-12(28(23,24)25)10(17)6-11(8)26-16(22)9(7)5-15(21)27-18-13(19)2-3-14(18)20/h4,6H,2-3,5,17H2,1H3,(H,23,24,25)
InChIKey
IKYJCHYORFJFRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
2
Molar refractivity
92.33
TPSA
174.28
LogP / Solubility
WLOGP
0.08
MLOGP
0.1
XLogP3
-0.6
Consensus LogP
-0.14
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-5.17
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
2.5
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