CAS RN: 2074610-05-0
(Ra,S)-Ph-Bn-SIPHOX
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.20260127 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2074610-05-0
- Purity/Analytical Methods: >99.0%
2074610-05-0 / [4-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-diphenylphosphane
Basic Information
CAS
2074610-05-0
Multi CAS
No
Molecular Formula
C39H34NOP
Molecular Weight
563.700000
Exact Mass
563.237802
SMILES
C1CC2(CCC3=C2C(=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5)C6=C1C=CC=C6C7=NC(CO7)CC8=CC=CC=C8
InChI
InChI=1S/C39H34NOP/c1-4-12-28(13-5-1)26-31-27-41-38(40-31)34-20-10-14-29-22-24-39(36(29)34)25-23-30-15-11-21-35(37(30)39)42(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-21,31H,22-27H2
InChIKey
WDIPXXMCRPGMIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
30
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
175.43
TPSA
21.59
LogP / Solubility
WLOGP
7.01
MLOGP
6.21
XLogP3
9
Consensus LogP
7.41
Log S (ESOL)
-7.88
Class (ESOL)
Insoluble
Log S (Ali)
-9.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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