CAS RN: 408328-97-2
Benzo(H)Quinoline-10-SulfonicAcid
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250911 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB927273
408328-97-2 / benzo[h]quinoline-10-sulfonic acid
Basic Information
CAS
408328-97-2
Multi CAS
No
Molecular Formula
C13H9NO3S
Molecular Weight
259.280000
Exact Mass
259.030314
InChI
InChI=1S/C13H9NO3S/c15-18(16,17)11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8H,(H,15,16,17)
InChIKey
QCMKVOONDDDSIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.06
TPSA
67.26
LogP / Solubility
WLOGP
2.63
MLOGP
2.33
XLogP3
2.2
Consensus LogP
2.39
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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