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CAS 1010800-02-8 N-[(11bR)-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide molecular structure lightbox
CAS RN: 1010800-02-8

N-[(11bR)-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 100mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250831 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260615 1g In stock Shanghai Inquiry
Batchno.20260320 250mg In stock Shanghai Inquiry
Batchno.20250301 5g In stock Shanghai Inquiry
  • Product code: SSC-001932
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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: 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 1010800-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1010800-02-8 / N-[10,16-bis[3,5-bis(trifluoromethyl)phenyl]-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

(S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthyl-2,2'-diyl-N-triflyl phosphoramide | N-[(11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-oxido-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide | MFCD28139335

Standard CAS: 1010800-02-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1010800-02-8
Multi CAS
Yes
Molecular Formula
C37H17F15NO5PS
Molecular Weight
903.500000
Exact Mass
903.032553
SMILES
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OP(=O)(O3)NS(=O)(=O)C(F)(F)F)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C37H17F15NO5PS/c38-33(39,40)21-9-19(10-22(15-21)34(41,42)43)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(20-11-23(35(44,45)46)16-24(12-20)36(47,48)49)32(30)58-59(54,57-31(27)29)53-60(55,56)37(50,51)52/h1-16H,(H,53,54)
InChIKey
JUOIJQDZNFIXIF-UHFFFAOYSA-N
Synonyms
(S)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1'-binaphthyl-2,2'-diyl-N-triflyl phosphoramide N-[(11bR)-2,6-Bis[3,5-bis(trifluoromethyl)phenyl]-4-oxido-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide MFCD28139335 (11bR)-N-(2,6-Bis(3,5-bis(trifluoromethyl)phenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide (11BS)-N-(2,6-bis(3,5-bis(trifluoromethyl)phenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide

Computed Properties

Structural Parameters

Heavy atom count
60
Aromatic heavy atom count
32
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
184.74
TPSA
81.7

LogP / Solubility

WLOGP
13.39
MLOGP
11.87
XLogP3
12.6
Consensus LogP
12.62
Log S (ESOL)
-14.01
Class (ESOL)
Insoluble
Log S (Ali)
-16.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.12
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)
1.27

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

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