CAS RN: 40962-34-3
(4-BROMOBENZYL)PHOSPHONIC ACID
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.20250827 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS40962-34-3
- Purity/Analytical Methods: >99.0%
40962-34-3 / (4-bromophenyl)methylphosphonic acid
Basic Information
CAS
40962-34-3
Multi CAS
No
Molecular Formula
C7H8BRO3P
Molecular Weight
251.010000
Exact Mass
249.939440
InChI
InChI=1S/C7H8BrO3P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)
InChIKey
AJSDTRXBGITXHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
49.89
TPSA
57.53
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
0.6
Consensus LogP
1.54
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.74
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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