CAS RN: 924251-12-7
5-BROMO-2-PHENYLQUINOLINE-4-CARBOXYLIC ACID
- Product code: SSC-206087
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
924251-12-7 / 5-bromo-2-phenylquinoline-4-carboxylic acid
Basic Information
CAS
924251-12-7
Multi CAS
No
Molecular Formula
BC16H10O2Rn
Molecular Weight
328.160000
Exact Mass
326.989490
InChI
InChI=1S/C16H10BrNO2/c17-12-7-4-8-13-15(12)11(16(19)20)9-14(18-13)10-5-2-1-3-6-10/h1-9H,(H,19,20)
InChIKey
NQQATLYCQLWJQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.84
TPSA
50.19
LogP / Solubility
WLOGP
4.36
MLOGP
3.85
XLogP3
4.1
Consensus LogP
4.1
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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