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CAS 210169-57-6 (S)-(-)-DM-SEGPHOS® molecular structure lightbox
CAS RN: 210169-57-6

(S)-(-)-DM-SEGPHOS®

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260318 200mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250208 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251012 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250701 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260112 250mg In stock Shanghai Inquiry
Batchno.20260613 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-099964
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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: 0.25g, 1g
  • Available purity: min. 98%
  • 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 210169-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g min. 98% 0 Out of Stock Beijing Inquiry
1g min. 98% 0 Out of Stock Hong Kong Inquiry

210169-57-6 / [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane

Standard CAS: 210169-57-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210169-57-6
Multi CAS
No
Molecular Formula
C46H44O4P2
Molecular Weight
722.800000
Exact Mass
722.271484
SMILES
CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
InChI
InChI=1S/C46H44O4P2/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38/h9-24H,25-26H2,1-8H3
InChIKey
XJJVPYMFHXMROQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
36
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
219.43
TPSA
36.92

LogP / Solubility

WLOGP
8.79
MLOGP
7.8
XLogP3
11.5
Consensus LogP
9.36
Log S (ESOL)
-9.91
Class (ESOL)
Insoluble
Log S (Ali)
-11.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.5
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)
-0.88

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
6.5

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