CAS RN: 88962-86-1
1-broMo-5-iodopentane
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.20250114 | 5g / 100g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS88962-86-1
- Purity/Analytical Methods: >99.0%
88962-86-1 / 1-bromo-5-iodopentane
Basic Information
CAS
88962-86-1
Multi CAS
No
Molecular Formula
C5H10BRI
Molecular Weight
276.940000
Exact Mass
275.901060
InChI
InChI=1S/C5H10BrI/c6-4-2-1-3-5-7/h1-5H2
InChIKey
FWDOLPSHUHIDGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
4
Molar refractivity
46.53
TPSA
0.0000
LogP / Solubility
WLOGP
2.99
MLOGP
2.64
XLogP3
4
Consensus LogP
3.21
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
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)
-2.29
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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