CAS RN: 6943-97-1
1-(3-BroMopropyl)-3-Methoxybenzene
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.20260311 | 2g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6943-97-1
- Purity/Analytical Methods: >99.0%
6943-97-1 / 1-(3-bromopropyl)-3-methoxybenzene
Basic Information
CAS
6943-97-1
Multi CAS
Yes
Molecular Formula
C10H13BRO
Molecular Weight
229.110000
Exact Mass
228.014980
InChI
InChI=1S/C10H13BrO/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8H,3,5,7H2,1H3
InChIKey
LISAIUHOJQKVHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
55.11
TPSA
9.23
LogP / Solubility
WLOGP
3.02
MLOGP
2.66
XLogP3
3.7
Consensus LogP
3.13
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
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
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