![CAS 1261302-64-0 N-[(11bR)-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-8,9,10,11,12,13,14,15-octahydro-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261302-64-0.gif)
CAS RN: 1261302-64-0
N-[(11bR)-2,6-bis[3,5-bis(trifluoromethyl)phenyl]-8,9,10,11,12,13,14,15-octahydro-4-oxidodinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-Methanesulfonamide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260220 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1261302-64-0
- Purity/Analytical Methods: >99.0%
1261302-64-0 / N-[10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-oxo-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-yl]-1,1,1-trifluoromethanesulfonamide
Basic Information
CAS
1261302-64-0
Multi CAS
No
Molecular Formula
C37H25F15NO5PS
Molecular Weight
911.600000
Exact Mass
911.095154
SMILES
C1CCC2=C3C4=C5CCCCC5=CC(=C4OP(=O)(OC3=C(C=C2C1)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)NS(=O)(=O)C(F)(F)F)C7=CC(=CC(=C7)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C37H25F15NO5PS/c38-33(39,40)21-9-19(10-22(15-21)34(41,42)43)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(20-11-23(35(44,45)46)16-24(12-20)36(47,48)49)32(30)58-59(54,57-31(27)29)53-60(55,56)37(50,51)52/h9-16H,1-8H2,(H,53,54)
InChIKey
MKEIFRPXDSHUOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
24
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
183.01
TPSA
81.7
LogP / Solubility
WLOGP
12.84
MLOGP
11.38
XLogP3
12.9
Consensus LogP
12.37
Log S (ESOL)
-13.61
Class (ESOL)
Insoluble
Log S (Ali)
-16.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.83
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
-
-
Ethanamine, 2-[2-[2-[(6-chlorohexyl)oxy]ethoxy]ethoxy]-
- CAS RN: 1261350-60-0
- Product Code: SSC-032453
-
-
3-Methoxy-1,5-naphthyridine
- CAS RN: 1261365-35-8
- Product Code: starshine_CAS1261365-35-8
- Purity/Analytical method: >99.0%
-
5-Bromo-2,3-diiodopyridine
- CAS RN: 1261365-44-9
- Product Code: starshine_CAS1261365-44-9
- Purity/Analytical method: >99.0%
-
5-Chloro-3-(dimethoxymethyl)-2-methoxypyridine
- CAS RN: 1261365-50-7
- Product Code: starshine_CAS1261365-50-7
- Purity/Analytical method: >99.0%
![CAS 1261350-60-0 Ethanamine, 2-[2-[2-[(6-chlorohexyl)oxy]ethoxy]ethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261350-60-0.gif)
