CAS RN: 930396-14-8
8-bromoquinoline-5-sulfonyl chloride
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.20260507 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS930396-14-8
- Purity/Analytical Methods: >99.0%
930396-14-8 / 8-bromoquinoline-5-sulfonyl chloride
Basic Information
CAS
930396-14-8
Multi CAS
No
Molecular Formula
C9H5BRCLNO2S
Molecular Weight
306.560000
Exact Mass
304.891290
InChI
InChI=1S/C9H5BrClNO2S/c10-7-3-4-8(15(11,13)14)6-2-1-5-12-9(6)7/h1-5H
InChIKey
VBWUIBNELGOUJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
62.48
TPSA
47.03
LogP / Solubility
WLOGP
2.92
MLOGP
2.59
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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