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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1000573-15-8 / 1-bromo-2,4-dichloro-3-fluorobenzene
1000573-15-8 | 1-BROMO-2,4-DICHLORO-3-FLUOROBENZENE | 2,4-Dichloro-3-fluorobromobenzene
Basic Information
CAS
1000573-15-8
Multi CAS
No
Molecular Formula
C6H2BrCl2F
Molecular Weight
243.880000
Exact Mass
241.870100
SMILES
C1=CC(=C(C(=C1Cl)F)Cl)Br
InChI
InChI=1S/C6H2BrCl2F/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKey
GGVLXXOXZOFPJH-UHFFFAOYSA-N
Synonyms
1000573-15-8
1-BROMO-2,4-DICHLORO-3-FLUOROBENZENE
2,4-Dichloro-3-fluorobromobenzene
MFCD09878169
Benzene, 1-bromo-2,4-dichloro-3-fluoro-
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
44.12
TPSA
0.0000
LogP / Solubility
WLOGP
3.9
MLOGP
3.43
XLogP3
4.3
Consensus LogP
3.88
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
