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CAS 1644121-35-6 S-3,3′-dibromo-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate molecular structure lightbox
CAS RN: 1644121-35-6

S-3,3′-dibromo-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260103 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260309 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250519 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260630 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250121 5g In stock Shanghai Inquiry
  • Product code: SSC-071855
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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: ＞97%
  • 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 1644121-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1644121-35-6 / 10,16-dibromo-13-hydroxy-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-decaene 13-oxide

Standard CAS: 1644121-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1644121-35-6
Multi CAS
No
Molecular Formula
C20H11Br2O4P
Molecular Weight
506.100000
Exact Mass
505.874120
SMILES
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)Br)OP(=O)(O3)O)Br
InChI
InChI=1S/C20H11Br2O4P/c21-15-9-11-5-1-3-7-13(11)17-18-14-8-4-2-6-12(14)10-16(22)20(18)26-27(23,24)25-19(15)17/h1-10H,(H,23,24)
InChIKey
RRIATNDCYBAJIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
20
H-bond acceptors
3
H-bond donors
1
Molar refractivity
113.37
TPSA
55.76

LogP / Solubility

WLOGP
7.06
MLOGP
6.25
XLogP3
6.2
Consensus LogP
6.5
Log S (ESOL)
-7.97
Class (ESOL)
Insoluble
Log S (Ali)
-8.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.81
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.8

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
3.5

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