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CAS 1616688-64-2 [S(R)]-N-[(R)-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl][2-(diphenylphosphino)phenyl]methyl]-2-methyl-2-propanesulfinamide molecular structure lightbox
CAS RN: 1616688-64-2

[S(R)]-N-[(R)-[3,5-Bis(1,1-dimethylethyl)-4-methoxyphenyl][2-(diphenylphosphino)phenyl]methyl]-2-methyl-2-propanesulfinamide

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 25mg Out of stock Inquiry
Batchno.20250810 25mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
Batchno.20260506 5mg Out of stock Inquiry
  • Product code: SSC-069289
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1616688-64-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.5g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1616688-64-2 / N-[(3,5-ditert-butyl-4-methoxyphenyl)-(2-diphenylphosphanylphenyl)methyl]-2-methylpropane-2-sulfinamide

Standard CAS: 1616688-64-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1616688-64-2
Multi CAS
No
Molecular Formula
C38H48NO2PS
Molecular Weight
613.800000
Exact Mass
613.314338
SMILES
CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C(C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)C(C)(C)C
InChI
InChI=1S/C38H48NO2PS/c1-36(2,3)31-25-27(26-32(35(31)41-10)37(4,5)6)34(39-43(40)38(7,8)9)30-23-17-18-24-33(30)42(28-19-13-11-14-20-28)29-21-15-12-16-22-29/h11-26,34,39H,1-10H3/t34-,43?/m1/s1
InChIKey
JIJHYOCKCFKMDP-UQLGGBPNSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
188.42
TPSA
38.33

LogP / Solubility

WLOGP
8.19
MLOGP
7.26
XLogP3
9.9
Consensus LogP
8.45
Log S (ESOL)
-8.69
Class (ESOL)
Insoluble
Log S (Ali)
-10.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.41
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)
-0.65

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
5.5

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