![CAS 695162-87-9 R-4-oxide-4-hydroxy-2,6-bis(2,4,6-triMethylphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/695162-87-9.gif)
CAS RN: 695162-87-9
R-4-oxide-4-hydroxy-2,6-bis(2,4,6-triMethylphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS695162-87-9
- Purity/Analytical Methods: >99.0%
695162-87-9 / 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(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
Basic Information
CAS
695162-87-9
Multi CAS
No
Molecular Formula
C38H33O4P
Molecular Weight
584.600000
Exact Mass
584.211647
InChI
InChI=1S/C38H33O4P/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/h7-20H,1-6H3,(H,39,40)
InChIKey
BEHLZZISBCRGSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
32
Fraction Csp3
0.16
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
177.27
TPSA
55.76
LogP / Solubility
WLOGP
10.72
MLOGP
9.48
XLogP3
10.3
Consensus LogP
10.17
Log S (ESOL)
-10.63
Class (ESOL)
Insoluble
Log S (Ali)
-12.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.59
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)
1.32
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
Customers Also Viewed
-
![CAS 695162-88-0 R-4-oxide-4-hydroxy-2,6-bis(4-Methoxyphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
R-4-oxide-4-hydroxy-2,6-bis(4-Methoxyphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 695162-88-0
- Product Code: SSC-179217
-
R-4-oxide-4-hydroxy-2,6-bis(4-nitrophenyl)- Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 695162-89-1
- Product Code: SSC-179218
-
-
5-METHYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID
- CAS RN: 695191-64-1
- Product Code: SSC-179223
-
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide
- CAS RN: 695207-56-8
- Product Code: SSC-179231
-
2-{2-[(2S,5S)-2,5-dimethyl-1-phospholano]phenyl}1,3-dioxolane, min. 97%
- CAS RN: 695816-47-8
- Product Code: starshine_CAS695816-47-8
- Purity/Analytical method: >99.0%
![CAS 695162-88-0 R-4-oxide-4-hydroxy-2,6-bis(4-Methoxyphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/695162-88-0.gif)
![CAS 695162-89-1 R-4-oxide-4-hydroxy-2,6-bis(4-nitrophenyl)- Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/695162-89-1.gif)
![CAS 695191-64-1 5-METHYL-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7338894.gif)
![CAS 695816-47-8 2-{2-[(2S,5S)-2,5-dimethyl-1-phospholano]phenyl}1,3-dioxolane, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/695816-47-8.gif)