CAS RN: 87411-38-9
5-(4-bromophenoxy)pentanoic acid
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.20250403 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS87411-38-9
- Purity/Analytical Methods: >99.0%
87411-38-9 / 5-(4-bromophenoxy)pentanoic acid
Basic Information
CAS
87411-38-9
Multi CAS
No
Molecular Formula
C11H13BRO3
Molecular Weight
273.120000
Exact Mass
272.004810
InChI
InChI=1S/C11H13BrO3/c12-9-4-6-10(7-5-9)15-8-2-1-3-11(13)14/h4-7H,1-3,8H2,(H,13,14)
InChIKey
KACNEIIGTGEGPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.12
TPSA
46.53
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
2.8
Consensus LogP
2.87
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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