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CAS 1676072-26-6 R-H8-(11bR)-4-Hydroxy-2,6-bis(2,4,6-tricyclohexylphenyl)-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 98%，ee99% molecular structure lightbox
CAS RN: 1676072-26-6

R-H8-(11bR)-4-Hydroxy-2,6-bis(2,4,6-tricyclohexylphenyl)-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 98%，ee99%

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250612 1g Out of stock Inquiry
Batchno.20251106 250mg In stock Tianjin Inquiry
Batchno.20250418 5g In stock Tianjin Inquiry
  • Product code: SSC-073111
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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 1676072-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1676072-26-6 / 13-hydroxy-10,16-bis(2,4,6-tricyclohexylphenyl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide

Standard CAS: 1676072-26-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1676072-26-6
Multi CAS
No
Molecular Formula
C68H89O4P
Molecular Weight
1001.400000
Exact Mass
1000.649848
SMILES
C1CCC(CC1)C2=CC(=C(C(=C2)C3CCCCC3)C4=C5C(=C6CCCCC6=C4)C7=C8CCCCC8=CC(=C7OP(=O)(O5)O)C9=C(C=C(C=C9C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1
InChI
InChI=1S/C68H89O4P/c69-73(70)71-67-61(63-57(47-27-11-3-12-28-47)41-53(45-23-7-1-8-24-45)42-58(63)48-29-13-4-14-30-48)39-51-35-19-21-37-55(51)65(67)66-56-38-22-20-36-52(56)40-62(68(66)72-73)64-59(49-31-15-5-16-32-49)43-54(46-25-9-2-10-26-46)44-60(64)50-33-17-6-18-34-50/h39-50H,1-38H2,(H,69,70)
InChIKey
DDIXRMUVLJBINQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
73
Aromatic heavy atom count
24
Fraction Csp3
0.65
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
302.07
TPSA
55.76

LogP / Solubility

WLOGP
20.6
MLOGP
18.23
XLogP3
23.5
Consensus LogP
20.78
Log S (ESOL)
-18.74
Class (ESOL)
Insoluble
Log S (Ali)
-22.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.23
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)
5.8

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
9

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