CAS RN: 596108-59-7
Aminopeptidase N Inhibitor
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.20260211 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS596108-59-7
- Purity/Analytical Methods: >99.0%
596108-59-7 / 2-[3-nitro-2-(2-nitrophenyl)-4-oxochromen-8-yl]acetic acid
Basic Information
CAS
596108-59-7
Multi CAS
No
Molecular Formula
C17H10N2O8
Molecular Weight
370.300000
Exact Mass
370.043715
InChI
InChI=1S/C17H10N2O8/c20-13(21)8-9-4-3-6-11-15(22)14(19(25)26)17(27-16(9)11)10-5-1-2-7-12(10)18(23)24/h1-7H,8H2,(H,20,21)
InChIKey
QZDDFQLIQRYMBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
92.57
TPSA
153.79
LogP / Solubility
WLOGP
2.9
MLOGP
2.58
XLogP3
2.5
Consensus LogP
2.66
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92
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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