![CAS 2635339-84-1 (11bS)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB83152100.gif)
CAS RN: 2635339-84-1
(11bS)-8,9,10,11,12,13,14,15-Octahydro-4-hydroxy-2,6-bis[4-(trifluoromethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: starshine_CAS2635339-84-1
- Purity/Analytical Methods: >99.0%
2635339-84-1 / 13-hydroxy-10,16-bis[4-(trifluoromethyl)phenyl]-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
Basic Information
CAS
2635339-84-1
Multi CAS
No
Molecular Formula
C34H27F6O4P
Molecular Weight
644.500000
Exact Mass
644.155115
SMILES
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC=C(C=C6)C(F)(F)F)O)C7=CC=C(C=C7)C(F)(F)F
InChI
InChI=1S/C34H27F6O4P/c35-33(36,37)23-13-9-19(10-14-23)27-17-21-5-1-3-7-25(21)29-30-26-8-4-2-6-22(26)18-28(32(30)44-45(41,42)43-31(27)29)20-11-15-24(16-12-20)34(38,39)40/h9-18H,1-8H2,(H,41,42)
InChIKey
XURGUTVGAFTYCS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
157.12
TPSA
55.76
LogP / Solubility
WLOGP
10.35
MLOGP
9.17
XLogP3
10.1
Consensus LogP
9.87
Log S (ESOL)
-10.62
Class (ESOL)
Insoluble
Log S (Ali)
-12.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.68
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)
0.7
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 2635339-85-2 Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 8,9,10,11,12,13,14,15-octahydro-4-hydroxy-2,6-bis(4-methoxyphenyl)-, 4-oxide, (11bS)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 8,9,10,11,12,13,14,15-octahydro-4-hydroxy-2,6-bis(4-methoxyphenyl)-, 4-oxide, (11bS)-
- CAS RN: 2635339-85-2
- Product Code: starshine_CAS2635339-85-2
- Purity/Analytical method: >99.0%
-
(1R,2R)-N1,N1-Dimethyl-1,2-diphenylethane-1,2-diamine dihydrochloride
- CAS RN: 2635339-86-3
- Product Code: starshine_CAS2635339-86-3
- Purity/Analytical method: >99.0%
-
2,7-Difluoro-9-mesityl-10-methylacridin-10-ium tetrafluoroborate
- CAS RN: 2635339-88-5
- Product Code: SSC-123797
-
Tetrakis[N-tetrafluorophthaloyl-(S)-tert-leucinato]dirhodium Bis(ethyl Acetate) Adduct
- CAS RN: 2635339-90-9
- Product Code: starshine_CAS2635339-90-9
- Purity/Analytical method: >99.0%
-
(2-amino-3,5-dichloro-6-fluorophenyl)boronic acid
- CAS RN: 2638502-53-9
- Product Code: starshine_CAS2638502-53-9
- Purity/Analytical method: >99.0%
-
8-methoxyisoquinoline-6-carboxylic acid
- CAS RN: 2639204-09-2
- Product Code: starshine_CAS2639204-09-2
- Purity/Analytical method: >99.0%
![CAS 2635339-85-2 Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 8,9,10,11,12,13,14,15-octahydro-4-hydroxy-2,6-bis(4-methoxyphenyl)-, 4-oxide, (11bS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2635339-85-2.gif)
![CAS 2635339-90-9 Tetrakis[N-tetrafluorophthaloyl-(S)-tert-leucinato]dirhodium Bis(ethyl Acetate) Adduct molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2635339-90-9.gif)
