![CAS 6064-83-1 2-(Phosphonooxy)benzoic Acid [for Biochemical Research] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p1952-jpgcontextbwfzdgvyfhjvb3r8mzg4ndv8aw1hz2uvanblz3xomtcvagiylzg5mziwndywmti0ndyvude5ntiuanbnfge5ogzkmtdkzgeznmmzytjmy2rhnwrlnty0mtfkmzzimda1zgy5mgvmmgy1mjbmnzc2otvizdm1ytzkmmuyzdg.jpeg)
CAS RN: 6064-83-1
2-(Phosphonooxy)benzoic Acid [for Biochemical Research]
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.20260427 | 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTP1952
- Purity/Analytical Methods: >97.0%(T)(HPLC)
6064-83-1 / 2-phosphonooxybenzoic acid
Basic Information
CAS
6064-83-1
Multi CAS
Yes
Molecular Formula
C7H7O6P
Molecular Weight
218.100000
Exact Mass
217.998025
InChI
InChI=1S/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)
InChIKey
FFKUDWZICMJVPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
46.07
TPSA
104.06
LogP / Solubility
WLOGP
0.86
MLOGP
0.76
Consensus LogP
0.54
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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