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CAS 1393089-51-4 (11bR)- 2,6-bis[2,6-bis(1-methylethyl)-4-tricyclo[3.3.1.13,7]dec-1-ylphenyl]-4-hydroxy-4-oxide-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure lightbox
CAS RN: 1393089-51-4

(11bR)- 2,6-bis[2,6-bis(1-methylethyl)-4-tricyclo[3.3.1.13,7]dec-1-ylphenyl]-4-hydroxy-4-oxide-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250623 100mg In stock Shanghai Inquiry
Batchno.20251216 1g Out of stock Inquiry
Batchno.20260424 250mg Out of stock Inquiry
Batchno.20251031 25mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250813 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1393089-51-4
  • Purity/Analytical Methods: >99.0%
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1393089-51-4 / 10,16-bis[4-(1-adamantyl)-2,6-di(propan-2-yl)phenyl]-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: 1393089-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1393089-51-4
Multi CAS
No
Molecular Formula
C64H73O4P
Molecular Weight
937.200000
Exact Mass
936.524648
SMILES
CC(C)C1=CC(=CC(=C1C2=CC3=CC=CC=C3C4=C2OP(=O)(OC5=C4C6=CC=CC=C6C=C5C7=C(C=C(C=C7C(C)C)C89CC1CC(C8)CC(C1)C9)C(C)C)O)C(C)C)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C64H73O4P/c1-35(2)51-25-47(63-29-39-17-40(30-63)19-41(18-39)31-63)26-52(36(3)4)57(51)55-23-45-13-9-11-15-49(45)59-60-50-16-12-10-14-46(50)24-56(62(60)68-69(65,66)67-61(55)59)58-53(37(5)6)27-48(28-54(58)38(7)8)64-32-42-20-43(33-64)22-44(21-42)34-64/h9-16,23-28,35-44H,17-22,29-34H2,1-8H3,(H,65,66)
InChIKey
ZNBWOBFEUDKUAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
69
Aromatic heavy atom count
32
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
284.9
TPSA
55.76

LogP / Solubility

WLOGP
18.29
MLOGP
16.19
XLogP3
19.4
Consensus LogP
17.96
Log S (ESOL)
-16.99
Class (ESOL)
Insoluble
Log S (Ali)
-20.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.9
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)
4.55

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
10

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