CAS RN: 850629-65-1
Dimesitylammonium Pentafluorobenzenesulfonate
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-193067
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
850629-65-1 / 2,3,4,5,6-pentafluorobenzenesulfonic acid;2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)aniline
Basic Information
CAS
850629-65-1
Multi CAS
Yes
Molecular Formula
C24F5H24NO3S
Molecular Weight
501.500000
Exact Mass
501.139706
InChI
InChI=1S/C18H23N.C6HF5O3S/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h7-10,19H,1-6H3;(H,12,13,14)
InChIKey
MKKHTKBUMNIBLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
120.64
TPSA
66.4
LogP / Solubility
WLOGP
6.91
MLOGP
6.12
XLogP3
6.91
Consensus LogP
6.65
Log S (ESOL)
-7.5
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.01
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.87
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
2.5
Customers Also Viewed
-
(2-Hydroxy-5-methylphenyl)triphenylphosphonium Iodide
- CAS RN: 2005487-70-5
- Product Code: SSC-094411
-
(2-Hydroxy-5-methylphenyl)triphenylphosphonium Bromide
- CAS RN: 2005487-65-8
- Product Code: SSC-094410
-
Pentafluoroanilinium Trifluoromethanesulfonate
- CAS RN: 912823-79-1
- Product Code: SSC-204223
-
-
2,6-Bis[(2,2,6,6-tetramethyl-1-piperidinyl)methyl]phenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 1243264-54-1
- Product Code: SSC-028223
-
1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene
- CAS RN: 405074-81-9
- Product Code: SSC-148717
![CAS 1243264-54-1 2,6-Bis[(2,2,6,6-tetramethyl-1-piperidinyl)methyl]phenylboronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3927-jpgcontextbwfzdgvyfhjvb3r8nde1otf8aw1hz2uvanblz3xonduvadzmlzg5mjg5otixmdazodivqjm5mjcuanbnfdcyodnkywzlmze4nta5nwzjotiymduxndliytkzogy1ywi4mwy4yta4nzaxotyymme3ztqwotkwmdfinjziyjm.jpeg)
![CAS 405074-81-9 1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2291-jpgcontextbwfzdgvyfhjvb3r8mzqxndj8aw1hz2uvanblz3xonzqvagixlzg5mjg4mtm5nzm1mzqvqjiyoteuanbnfdezmjawogexzjqymgfjztfhmge3mtywyjcwymnhmzlkytfkzjc3mti4zwezyzziyme2ndhjote0yjhhmjg2zdy.jpeg)