CAS RN: 1011465-23-8
(R)-3,3′-Bis(2,4,6-trimethylphenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2-naphthyl Hydrogen Phosphate
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250422 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1011465-23-8
- Purity/Analytical Methods: >99.0%
1011465-23-8 / 13-hydroxy-10,16-bis(2,4,6-trimethylphenyl)-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
(11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis(2,4,6-trimethylphenyl)-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin | (11BS)-4-hydroxy-2,6-dimesityl-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide | MFCD31747033
Basic Information
CAS
1011465-23-8
Multi CAS
No
Molecular Formula
C38H41O4P
Molecular Weight
592.700000
Exact Mass
592.274247
SMILES
CC1=CC(=C(C(=C1)C)C2=C3C(=C4CCCCC4=C2)C5=C6CCCCC6=CC(=C5OP(=O)(O3)O)C7=C(C=C(C=C7C)C)C)C
InChI
InChI=1S/C38H41O4P/c1-21-15-23(3)33(24(4)16-21)31-19-27-11-7-9-13-29(27)35-36-30-14-10-8-12-28(30)20-32(34-25(5)17-22(2)18-26(34)6)38(36)42-43(39,40)41-37(31)35/h15-20H,7-14H2,1-6H3,(H,39,40)
InChIKey
RZGPFPVKSVWLIV-UHFFFAOYSA-N
Synonyms
(11bR)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis(2,4,6-trimethylphenyl)-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin
(11BS)-4-hydroxy-2,6-dimesityl-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide
MFCD31747033
(11bR)-4-Hydroxy-2,6-dimesityl-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide
13-hydroxy-10,16-bis(2,4,6-trimethylphenyl)-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
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.37
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
175.54
TPSA
55.76
LogP / Solubility
WLOGP
10.17
MLOGP
8.99
XLogP3
10.5
Consensus LogP
9.89
Log S (ESOL)
-10.2
Class (ESOL)
Insoluble
Log S (Ali)
-11.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.19
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
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![CAS 1011465-27-2 (R)-4-oxide-2,6-bis[4-(4-methoxyphenyl)–8,9,10,11,12,13,14,15-octahydro-4-hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1011465-27-2.gif)
![CAS 1011465-29-4 R-4-oxide-2,6-di-9-anthracenyl-8,9,10,11,12,13,14,15-octahydro-4-hydroxy–Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1011465-29-4.gif)
