CAS RN: 999-82-6
(2-Bromoethyl)phosphonic Acid
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-213414
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 | Shanghai | Inquiry |
999-82-6 / 2-bromoethylphosphonic acid
Basic Information
CAS
999-82-6
Multi CAS
No
Molecular Formula
C2H6BrO3P
Molecular Weight
188.950000
Exact Mass
187.923790
SMILES
C(CBr)P(=O)(O)O
InChI
InChI=1S/C2H6BrO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
InChIKey
BFKXVERGWXHHIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
30.71
TPSA
57.53
LogP / Solubility
WLOGP
0.56
MLOGP
0.49
XLogP3
-0.8
Consensus LogP
0.08
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Purity/Analytical method: >98.0%(HPLC)
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