CAS RN: 96735-88-5
N-Succinimidyl 7-Hydroxy-4-methylcoumarin-3-acetate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260224 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTS0960
- Purity/Analytical Methods: >90.0%(HPLC)(N)
96735-88-5 / (2,5-dioxopyrrolidin-1-yl) 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
Basic Information
CAS
96735-88-5
Multi CAS
No
Molecular Formula
C16H13NO7
Molecular Weight
331.280000
Exact Mass
331.069202
InChI
InChI=1S/C16H13NO7/c1-8-10-3-2-9(18)6-12(10)23-16(22)11(8)7-15(21)24-17-13(19)4-5-14(17)20/h2-3,6,18H,4-5,7H2,1H3
InChIKey
VODLZKHEKKGCBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
79.77
TPSA
114.12
LogP / Solubility
WLOGP
0.96
MLOGP
0.86
XLogP3
0.4
Consensus LogP
0.74
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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