CAS RN: 35787-74-7
Bis(2-methylphenoxy)phosphinic 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.20260418 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS35787-74-7
- Purity/Analytical Methods: >99.0%
35787-74-7 / bis(2-methylphenyl) hydrogen phosphate
Basic Information
CAS
35787-74-7
Multi CAS
Yes
Molecular Formula
C14H15O4P
Molecular Weight
278.240000
Exact Mass
278.070796
InChI
InChI=1S/C14H15O4P/c1-11-7-3-5-9-13(11)17-19(15,16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H,15,16)
InChIKey
OHRCKPRYDGSBRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.44
TPSA
55.76
LogP / Solubility
WLOGP
3.86
MLOGP
3.41
XLogP3
3.3
Consensus LogP
3.52
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
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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