![CAS 1236191-19-7 (11bR)-2,6-bis[4-(9-anthracenyl)-2,6-bis(1-methylethyl)phenyl]-4-hydroxy-4-oxide-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1236191-19-7.gif)
CAS RN: 1236191-19-7
(11bR)-2,6-bis[4-(9-anthracenyl)-2,6-bis(1-methylethyl)phenyl]-4-hydroxy-4-oxide-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1236191-19-7
- Purity/Analytical Methods: >99.0%
1236191-19-7 / 10,16-bis[4-anthracen-9-yl-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
Basic Information
CAS
1236191-19-7
Multi CAS
No
Molecular Formula
C72H61O4P
Molecular Weight
1021.200000
Exact Mass
1020.430747
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)C8=C9C=CC=CC9=CC1=CC=CC=C18)C(C)C)O)C(C)C)C1=C2C=CC=CC2=CC2=CC=CC=C21
InChI
InChI=1S/C72H61O4P/c1-41(2)59-37-51(65-53-27-15-9-21-45(53)33-46-22-10-16-28-54(46)65)38-60(42(3)4)67(59)63-35-49-25-13-19-31-57(49)69-70-58-32-20-14-26-50(58)36-64(72(70)76-77(73,74)75-71(63)69)68-61(43(5)6)39-52(40-62(68)44(7)8)66-55-29-17-11-23-47(55)34-48-24-12-18-30-56(48)66/h9-44H,1-8H3,(H,73,74)
InChIKey
VQUYUHARRUOTBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
77
Aromatic heavy atom count
60
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
326.1
TPSA
55.76
LogP / Solubility
WLOGP
21.31
MLOGP
18.85
XLogP3
20.8
Consensus LogP
20.32
Log S (ESOL)
-19.64
Class (ESOL)
Insoluble
Log S (Ali)
-23.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.94
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)
6.18
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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