CAS RN: 98674-82-9
(R)-(+)-2-HYDROXY-4-(2-METHOXYPHENYL)-5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINANE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260413 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS98674-82-9
- Purity/Analytical Methods: >99.0%
98674-82-9 / 2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Basic Information
CAS
98674-82-9
Multi CAS
Yes
Molecular Formula
C12H17O5P
Molecular Weight
272.230000
Exact Mass
272.081361
InChI
InChI=1S/C12H17O5P/c1-12(2)8-16-18(13,14)17-11(12)9-6-4-5-7-10(9)15-3/h4-7,11H,8H2,1-3H3,(H,13,14)/t11-/m0/s1
InChIKey
HNFXKRNIAWHFJN-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.38
TPSA
64.99
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
1.4
Consensus LogP
2.29
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-2.31
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
2.5
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