![CAS 1450764-52-9 “1,1,1-Trifluoro-N-[(11bS)-4-oxido-2,6-bis(triphenylsilyl)dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]methanesulfonamide,99%e.e.” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1450764-52-9(2).gif)
CAS RN: 1450764-52-9
“1,1,1-Trifluoro-N-[(11bS)-4-oxido-2,6-bis(triphenylsilyl)dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-yl]methanesulfonamide,99%e.e.”
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250630 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1450764-52-9
- Purity/Analytical Methods: >99.0%
1450764-52-9 / 1,1,1-trifluoro-N-[13-oxo-10,16-bis(triphenylsilyl)-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-decaen-13-yl]methanesulfonamide
Basic Information
CAS
1450764-52-9
Multi CAS
No
Molecular Formula
C57H41F3NO5PSSi2
Molecular Weight
996.100000
Exact Mass
995.193369
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7[Si](C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C57H41F3NO5PSSi2/c58-57(59,60)68(63,64)61-67(62)65-55-51(69(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)66-67)70(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40H,(H,61,62)
InChIKey
JFHZUNGBPYBCBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
70
Aromatic heavy atom count
56
Fraction Csp3
0.02
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
1
Molar refractivity
281.1
TPSA
81.7
LogP / Solubility
WLOGP
8.73
MLOGP
7.78
XLogP3
8.73
Consensus LogP
8.41
Log S (ESOL)
-11.45
Class (ESOL)
Insoluble
Log S (Ali)
-14.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.58
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)
-2.6
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
8
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![CAS 1450833-55-2 methyl ((1S,2R,3S,4R)-2,3-dihydroxy-4-((2-(3-((trifluoromethyl)thio)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)amino)cyclopentyl)sulfamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1450833-55-2.gif)
.gif)