CAS RN: 14782-19-5
INO5042
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.20251019 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS14782-19-5
- Purity/Analytical Methods: >99.0%
14782-19-5 / 2-(furan-2-yl)benzo[f][1,3]benzothiazole-4,9-dione
Basic Information
CAS
14782-19-5
Multi CAS
No
Molecular Formula
C15H7NO3S
Molecular Weight
281.290000
Exact Mass
281.014664
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)C4=CC=CO4
InChI
InChI=1S/C15H7NO3S/c17-12-8-4-1-2-5-9(8)13(18)14-11(12)16-15(20-14)10-6-3-7-19-10/h1-7H
InChIKey
VJKZUTFFMNSTTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
73.12
TPSA
60.17
LogP / Solubility
WLOGP
3.18
MLOGP
2.81
XLogP3
3.3
Consensus LogP
3.1
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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