CAS RN: 1820712-69-3
5-Bromo-1-chloro-3-fluoro-2-propoxybenzene
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.20250820 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1820712-69-3
- Purity/Analytical Methods: >99.0%
1820712-69-3 / 5-bromo-1-chloro-3-fluoro-2-propoxybenzene
Basic Information
CAS
1820712-69-3
Multi CAS
No
Molecular Formula
C9H9BrClFO
Molecular Weight
267.520000
Exact Mass
265.950930
SMILES
CCCOC1=C(C=C(C=C1Cl)Br)F
InChI
InChI=1S/C9H9BrClFO/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h4-5H,2-3H2,1H3
InChIKey
WKQFKZLQKLTQIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
54.9
TPSA
9.23
LogP / Solubility
WLOGP
4.03
MLOGP
3.55
XLogP3
4.2
Consensus LogP
3.93
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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