CAS RN: 88805-95-2
3-BroMopropyldibutylaMine HydrobroMide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS88805-95-2
- Purity/Analytical Methods: >99.0%
88805-95-2 / N-(3-bromopropyl)-N-butylbutan-1-amine;hydrobromide
Basic Information
CAS
88805-95-2
Multi CAS
Yes
Molecular Formula
C11H25BR2N
Molecular Weight
331.130000
Exact Mass
331.033330
InChI
InChI=1S/C11H24BrN.BrH/c1-3-5-9-13(10-6-4-2)11-7-8-12;/h3-11H2,1-2H3;1H
InChIKey
VZFUYGASMVCGLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
74.99
TPSA
3.24
LogP / Solubility
WLOGP
4.25
MLOGP
3.76
XLogP3
4.25
Consensus LogP
4.09
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
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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