CAS RN: 93261-39-3
1-naphthyl 3,5-dinitrobenzoate
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.20250227 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS93261-39-3
- Purity/Analytical Methods: >99.0%
93261-39-3 / naphthalen-1-yl 3,5-dinitrobenzoate
Basic Information
CAS
93261-39-3
Multi CAS
No
Molecular Formula
C17H10N2O6
Molecular Weight
338.270000
Exact Mass
338.053886
InChI
InChI=1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H
InChIKey
WYKPSINHJUWDHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
88.66
TPSA
112.58
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
4.1
Consensus LogP
3.8
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS93280-44-5
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