CAS RN: 142523-38-4
L-690,330
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250924 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS142523-38-4
- Purity/Analytical Methods: >99.0%
142523-38-4 / [1-(4-hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid
Basic Information
CAS
142523-38-4
Multi CAS
No
Molecular Formula
C8H12O8P2
Molecular Weight
298.120000
Exact Mass
298.000741
SMILES
CC(OC1=CC=C(C=C1)O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKey
JKOCAAWWDVHWKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
5
Molar refractivity
61.23
TPSA
144.52
LogP / Solubility
WLOGP
0.8
MLOGP
0.72
XLogP3
-1.7
Consensus LogP
-0.06
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
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)
-3.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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