![CAS 86610-66-4 4,4′,4”-Tris(benzoyloxy)trityl Bromide [Hydroxyl Protecting Agent] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t1071-jpgcontextbwfzdgvyfhjvb3r8mze0ntn8aw1hz2uvanblz3xomdcvadeylzg5mzi0mja3ndcyotqvvdewnzeuanbnfdc4ztbkmdzln2njyme5yzyxmdgymjc2zjbinmqymdewnzkymjliywiwmzm2nwqwzwfjzgjkogq1mdq3ywqymti.jpeg)
CAS RN: 86610-66-4
4,4′,4”-Tris(benzoyloxy)trityl Bromide [Hydroxyl Protecting Agent]
- Product code: SSC-195815
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: 5g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
86610-66-4 / [4-[bis(4-benzoyloxyphenyl)-bromomethyl]phenyl] benzoate
Basic Information
CAS
86610-66-4
Multi CAS
Yes
Molecular Formula
C40H27BRO6
Molecular Weight
683.500000
Exact Mass
682.099100
InChI
InChI=1S/C40H27BrO6/c41-40(31-16-22-34(23-17-31)45-37(42)28-10-4-1-5-11-28,32-18-24-35(25-19-32)46-38(43)29-12-6-2-7-13-29)33-20-26-36(27-21-33)47-39(44)30-14-8-3-9-15-30/h1-27H
InChIKey
PKXTVZCJOBWKIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
36
Fraction Csp3
0.03
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
182.34
TPSA
78.9
LogP / Solubility
WLOGP
9.03
MLOGP
8.01
XLogP3
9.9
Consensus LogP
8.98
Log S (ESOL)
-9.74
Class (ESOL)
Insoluble
Log S (Ali)
-11.69
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)
-0.48
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
5.5
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