Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
99584-96-0 / 2,5-dibromohexanediamide
Basic Information
CAS
99584-96-0
Multi CAS
No
Molecular Formula
C6H10BR2N2O2
Molecular Weight
301.960000
Exact Mass
301.908850
InChI
InChI=1S/C6H10Br2N2O2/c7-3(5(9)11)1-2-4(8)6(10)12/h3-4H,1-2H2,(H2,9,11)(H2,10,12)
InChIKey
PLSXNAQEJOGNKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.05
TPSA
86.18
LogP / Solubility
WLOGP
0.26
MLOGP
0.24
XLogP3
0.4
Consensus LogP
0.3
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.37
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
2.5
