![CAS 952514-86-2 1-Phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-benzimidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2263-jpgcontextbwfzdgvyfhjvb3r8mzk1mtv8aw1hz2uvanblz3xoytivagrllzg5mzixmjyyotqwndyvudiynjmuanbnfdy1mwu0yjqzodm1yzuwogflnjningnmotvkotk5nmrlmjgyywjjmmfhywi1n2uzyjq0n2vkmwmzzwrlytnindk.jpeg)
CAS RN: 952514-86-2
1-Phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-benzimidazole
- Product code: SSC-210572
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
952514-86-2 / 1-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
Basic Information
CAS
952514-86-2
Multi CAS
No
Molecular Formula
BC25H25N2O2
Molecular Weight
396.300000
Exact Mass
396.200908
InChI
InChI=1S/C25H25BN2O2/c1-24(2)25(3,4)30-26(29-24)19-12-10-11-18(17-19)23-27-21-15-8-9-16-22(21)28(23)20-13-6-5-7-14-20/h5-17H,1-4H3
InChIKey
IFFQSTWSRPRHBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
122.22
TPSA
36.28
LogP / Solubility
WLOGP
4.99
MLOGP
4.42
XLogP3
4.99
Consensus LogP
4.8
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1391729-66-0 9-([1,1′-Biphenyl]-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5091-jpgcontextbwfzdgvyfhjvb3r8mzqyotr8aw1hz2uvanblz3xondkvadi3lzg5mjkxntiynzaznjyvqjuwoteuanbnfdu5mguwm2yyy2i1mmiwytm3y2u5ntflzdixymm3njywmte0ngy1nmvim2jiyjy3yzc5ymi0zjcynjjimtriowi.jpeg)
