[email protected]
CAS 1226907-33-0 N-[(11bS)-2,6-di-1-naphthalenyl-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide molecular structure lightbox
CAS RN: 1226907-33-0

N-[(11bS)-2,6-di-1-naphthalenyl-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250502 100mg In stock Shanghai Inquiry
Batchno.20250521 1g Out of stock Inquiry
Batchno.20260111 250mg In stock Shenzhen Inquiry
Batchno.20260313 50mg In stock Shanghai Inquiry
  • Product code: SSC-025823
GET A QUOTE
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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1226907-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1226907-33-0 / N-(10,16-dinaphthalen-1-yl-13-oxo-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1,1,1-trifluoromethanesulfonamide

Standard CAS: 1226907-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1226907-33-0
Multi CAS
No
Molecular Formula
C41H25F3NO5PS
Molecular Weight
731.700000
Exact Mass
731.114316
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC4=CC=CC=C4C5=C3OP(=O)(OC6=C5C7=CC=CC=C7C=C6C8=CC=CC9=CC=CC=C98)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C41H25F3NO5PS/c42-41(43,44)52(47,48)45-51(46)49-39-35(33-21-9-15-25-11-1-5-17-29(25)33)23-27-13-3-7-19-31(27)37(39)38-32-20-8-4-14-28(32)24-36(40(38)50-51)34-22-10-16-26-12-2-6-18-30(26)34/h1-24H,(H,45,46)
InChIKey
FPOLPVIYMYNVOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
40
Fraction Csp3
0.02
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
199.75
TPSA
81.7

LogP / Solubility

WLOGP
11.62
MLOGP
10.29
XLogP3
11.6
Consensus LogP
11.17
Log S (ESOL)
-12
Class (ESOL)
Insoluble
Log S (Ali)
-13.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.07

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
7

Customers Also Viewed

Get In Touch

Contact Us