![CAS 53524-88-2 NAPHTHO[2,1-B]FURAN-2-CARBOHYDRAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53524-88-2.gif)
CAS RN: 53524-88-2
NAPHTHO[2,1-B]FURAN-2-CARBOHYDRAZIDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260303 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS53524-88-2
- Purity/Analytical Methods: >99.0%
53524-88-2 / benzo[e][1]benzofuran-2-carbohydrazide
Basic Information
CAS
53524-88-2
Multi CAS
No
Molecular Formula
C13H10N2O2
Molecular Weight
226.230000
Exact Mass
226.074228
InChI
InChI=1S/C13H10N2O2/c14-15-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)17-12/h1-7H,14H2,(H,15,16)
InChIKey
LAMSRGJJBGMGDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.37
TPSA
68.26
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
2.4
Consensus LogP
2.17
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
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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