CAS RN: 1881329-59-4
1-bromo-3-chloro-5-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.20250921 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1881329-59-4
- Purity/Analytical Methods: >99.0%
1881329-59-4 / 1-bromo-3-chloro-5-propoxybenzene
Basic Information
CAS
1881329-59-4
Multi CAS
No
Molecular Formula
C9H10BrClO
Molecular Weight
249.530000
Exact Mass
247.960360
SMILES
CCCOC1=CC(=CC(=C1)Br)Cl
InChI
InChI=1S/C9H10BrClO/c1-2-3-12-9-5-7(10)4-8(11)6-9/h4-6H,2-3H2,1H3
InChIKey
QZUZJLGESNXVNK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
54.94
TPSA
9.23
LogP / Solubility
WLOGP
3.89
MLOGP
3.43
XLogP3
4.1
Consensus LogP
3.81
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-1.48
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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