![CAS 2757083-12-6 2-Propanesulfinamide, N-[(R)-[2-[bis(1,1-dimethylethyl)phosphino]phenyl]phenylmethyl]-N,2-dimethyl-, [S(R)]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757083-12-6.gif)
CAS RN: 2757083-12-6
2-Propanesulfinamide, N-[(R)-[2-[bis(1,1-dimethylethyl)phosphino]phenyl]phenylmethyl]-N,2-dimethyl-, [S(R)]-
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.20250409 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-127247
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: ≥95%
- 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.
2757083-12-6 / N-[(R)-(2-ditert-butylphosphanylphenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
Basic Information
CAS
2757083-12-6
Multi CAS
Yes
Molecular Formula
C26H40NOPS
Molecular Weight
445.600000
Exact Mass
445.256823
InChI
InChI=1S/C26H40NOPS/c1-24(2,3)29(25(4,5)6)22-19-15-14-18-21(22)23(20-16-12-11-13-17-20)27(10)30(28)26(7,8)9/h11-19,23H,1-10H3/t23-,30?/m1/s1
InChIKey
KJFQHFCHUMQGIB-ZCQJSQKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
136.45
TPSA
20.31
LogP / Solubility
WLOGP
6.87
MLOGP
6.08
XLogP3
5.6
Consensus LogP
6.18
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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