CAS RN: 1263504-45-5
(S)-(3-(MethoxyMethoxy)-2,3-diMethylbutyl)diphenylphosphine oxide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250913 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1263504-45-5
- Purity/Analytical Methods: >99.0%
1263504-45-5 / [[(2S)-3-(methoxymethoxy)-2,3-dimethylbutyl]-phenylphosphoryl]benzene
Basic Information
CAS
1263504-45-5
Multi CAS
No
Molecular Formula
C20H27O3P
Molecular Weight
346.400000
Exact Mass
346.169782
SMILES
C[C@H](CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)C(C)(C)OCOC
InChI
InChI=1S/C20H27O3P/c1-17(20(2,3)23-16-22-4)15-24(21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3/t17-/m1/s1
InChIKey
UEUUZAHLJDYELG-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
100.83
TPSA
35.53
LogP / Solubility
WLOGP
4.04
MLOGP
3.57
XLogP3
3.7
Consensus LogP
3.77
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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