CAS RN: 2074703-10-7
6-bromo-3-chloro-7-fluoro-2-methyl-1,5-naphthyridin-4-ol
- Product code: SSC-097673
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2074703-10-7 / 6-bromo-3-chloro-7-fluoro-2-methyl-1H-1,5-naphthyridin-4-one
Basic Information
CAS
2074703-10-7
Multi CAS
No
Molecular Formula
C9H5BrClFN2O
Molecular Weight
291.500000
Exact Mass
289.925780
SMILES
CC1=C(C(=O)C2=NC(=C(C=C2N1)F)Br)Cl
InChI
InChI=1S/C9H5BrClFN2O/c1-3-6(11)8(15)7-5(13-3)2-4(12)9(10)14-7/h2H,1H3,(H,13,15)
InChIKey
GTJLBGFHXGMOBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.77
TPSA
45.75
LogP / Solubility
WLOGP
2.79
MLOGP
2.46
XLogP3
3.2
Consensus LogP
2.82
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.52
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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![CAS 2077945-91-4 (5Z,5’Z)-5,5′-((7,7′-(4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis(benzo[c][1,2,5]thiadiazole-7,4-diyl))bis(methanylylidene))bis(3-ethyl-2-thioxothiazolidin-4-one) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2077945-91-4.png)
