CAS RN: 36795-25-2
4-NITROHOMOPHTHALIC ACID
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.20260114 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS36795-25-2
- Purity/Analytical Methods: >99.0%
36795-25-2 / 7-nitro-4H-isochromene-1,3-dione
Basic Information
CAS
36795-25-2
Multi CAS
No
Molecular Formula
C9H5NO5
Molecular Weight
207.140000
Exact Mass
207.016772
InChI
InChI=1S/C9H5NO5/c11-8-3-5-1-2-6(10(13)14)4-7(5)9(12)15-8/h1-2,4H,3H2
InChIKey
BGASVHXIJWUJNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
47.22
TPSA
86.51
LogP / Solubility
WLOGP
0.83
MLOGP
0.74
XLogP3
1.1
Consensus LogP
0.89
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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