CAS RN: 90875-14-2
1-bromo-4-(1-ethoxyethoxy)benzene
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.20260506 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90875-14-2
- Purity/Analytical Methods: >99.0%
90875-14-2 / 1-bromo-4-(1-ethoxyethoxy)benzene
Basic Information
CAS
90875-14-2
Multi CAS
No
Molecular Formula
C10H13BRO2
Molecular Weight
245.110000
Exact Mass
244.009890
InChI
InChI=1S/C10H13BrO2/c1-3-12-8(2)13-10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3
InChIKey
LCLUUJLBNFCPNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
55.86
TPSA
18.46
LogP / Solubility
WLOGP
3.21
MLOGP
2.83
XLogP3
3.3
Consensus LogP
3.11
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.4
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)
-1.94
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
2
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- Product Code: starshine_CAS90880-35-6
- Purity/Analytical method: >99.0%
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