![CAS 2565792-40-5 [S(R)]-N-[(1R)-1-[2-(Di-tert-butylphosphanyl)phenyl]phenylmethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB06197065.gif)
CAS RN: 2565792-40-5
[S(R)]-N-[(1R)-1-[2-(Di-tert-butylphosphanyl)phenyl]phenylmethyl]-2-methyl-2-propanesulfinamide
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260107 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-121900
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.
2565792-40-5 / (R)-N-[(R)-(2-ditert-butylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
Basic Information
CAS
2565792-40-5
Multi CAS
No
Molecular Formula
C25H38NOPS
Molecular Weight
431.600000
Exact Mass
431.241173
SMILES
CC(C)(C)P(C1=CC=CC=C1[C@@H](C2=CC=CC=C2)N[S@](=O)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C25H38NOPS/c1-23(2,3)28(24(4,5)6)21-18-14-13-17-20(21)22(19-15-11-10-12-16-19)26-29(27)25(7,8)9/h10-18,22,26H,1-9H3/t22-,29-/m1/s1
InChIKey
NOTCXERCVBXXDA-KPURRNSFSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
131.82
TPSA
29.1
LogP / Solubility
WLOGP
6.53
MLOGP
5.78
XLogP3
5.4
Consensus LogP
5.9
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
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)
-0.72
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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