![CAS 2160535-56-6 [S(R)]-N-[(R)-[5-(Diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl](4-methoxyphenyl)methyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2160535-56-6.png)
CAS RN: 2160535-56-6
[S(R)]-N-[(R)-[5-(Diphenylphosphino)-9,9-dimethyl-9H-xanthen-4-yl](4-methoxyphenyl)methyl]-2-methyl-2-propanesulfinamide
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250702 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-103542
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g, 0.5g, 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
2160535-56-6 / N-[(R)-(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
Basic Information
CAS
2160535-56-6
Multi CAS
No
Molecular Formula
C39H40NO3PS
Molecular Weight
633.800000
Exact Mass
633.246652
SMILES
CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C=CC=C51)[C@@H](C6=CC=C(C=C6)OC)NS(=O)C(C)(C)C)C
InChI
InChI=1S/C39H40NO3PS/c1-38(2,3)45(41)40-35(27-23-25-28(42-6)26-24-27)31-19-13-20-32-36(31)43-37-33(39(32,4)5)21-14-22-34(37)44(29-15-9-7-10-16-29)30-17-11-8-12-18-30/h7-26,35,40H,1-6H3/t35-,45?/m1/s1
InChIKey
QQLMJYVKSJQTCR-VLLRMEKGSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
30
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
189.66
TPSA
47.56
LogP / Solubility
WLOGP
8.03
MLOGP
7.12
XLogP3
8.9
Consensus LogP
8.02
Log S (ESOL)
-8.79
Class (ESOL)
Insoluble
Log S (Ali)
-10.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.4
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)
-0.89
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
6.5
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