![CAS 39986-94-2 1,1′-Oxybis[3-bromo-2,2-bis(bromomethyl)propane] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/39986-94-2.gif)
CAS RN: 39986-94-2
1,1′-Oxybis[3-bromo-2,2-bis(bromomethyl)propane]
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.20250325 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS39986-94-2
- Purity/Analytical Methods: >99.0%
39986-94-2 / 1,3-dibromo-2-[[3-bromo-2,2-bis(bromomethyl)propoxy]methyl]-2-(bromomethyl)propane
Basic Information
CAS
39986-94-2
Multi CAS
No
Molecular Formula
C10H16BR6O
Molecular Weight
631.700000
Exact Mass
631.623990
InChI
InChI=1S/C10H16Br6O/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h1-8H2
InChIKey
CWXPQNWWCJJVSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
98.45
TPSA
9.23
LogP / Solubility
WLOGP
5.35
MLOGP
4.76
XLogP3
4.9
Consensus LogP
5
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.4
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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