CAS RN: 40299-61-4
(4-METHOXYBENZYL)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.20250731 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS40299-61-4
- Purity/Analytical Methods: >99.0%
40299-61-4 / (4-methoxyphenyl)methylphosphonic acid
Basic Information
CAS
40299-61-4
Multi CAS
No
Molecular Formula
C8H11O4P
Molecular Weight
202.140000
Exact Mass
202.039496
InChI
InChI=1S/C8H11O4P/c1-12-8-4-2-7(3-5-8)6-13(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKey
XUAVFSMXCWTYNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.74
TPSA
66.76
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
Consensus LogP
0.86
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-2.98
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
Customers Also Viewed
-
-
-
3-hydroxy-5-methyl-hexanoic acid
- CAS RN: 40309-49-7
- Product Code: starshine_CAS40309-49-7
- Purity/Analytical method: >99.0%
-
-
-
