CAS RN: 91983-26-5
4-(Cyanomethyl)phenylboronic Acid (contains varying amounts of Anhydride)
- Product code: SSC-205498
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
91983-26-5 / [4-(cyanomethyl)phenyl]boronic acid
Basic Information
CAS
91983-26-5
Multi CAS
No
Molecular Formula
BC8H8NO2
Molecular Weight
160.970000
Exact Mass
161.064809
InChI
InChI=1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2
InChIKey
YKVMTTIYBSVPEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.58
TPSA
64.25
LogP / Solubility
WLOGP
-0.57
MLOGP
-0.5
XLogP3
-0.57
Consensus LogP
-0.55
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 389621-81-2 4-[(1-Pyrrolidinyl)carbonyl]phenylboronic Acid (contains varying amounts of Anhydride) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-[(1-Pyrrolidinyl)carbonyl]phenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 389621-81-2
- Product Code: SSC-146578
-
3-Acrylamidophenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 99349-68-5
- Product Code: SSC-213107
-
[4′-(Carbazol-9-yl)-4-biphenylyl]boronic Acid (contains varying amounts of Anhydride)
- CAS RN: 858131-73-4
- Product Code: SSC-194446
-
2-Chlorophenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 3900-89-8
- Product Code: SSC-146620
-
3-Methylphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 17933-03-8
- Product Code: SSC-079907
-
3-Methoxyphenylboronic Acid (contains varying amounts of Anhydride)
- CAS RN: 10365-98-7
- Product Code: SSC-005230
![CAS 389621-81-2 4-[(1-Pyrrolidinyl)carbonyl]phenylboronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2105-jpgcontextbwfzdgvyfhjvb3r8mzazmdn8aw1hz2uvanblz3xozgevagiwlzg5mzixmtkzndcymzavudixmduuanbnfdk2nzgxowrmogixztzkmgy3mjvlymezm2rky2fhmmy5yzhjmzg1nmezy2i3ymvjnmuxzdeymdcwm2nmmwq3mzk.jpeg)
![CAS 858131-73-4 [4′-(Carbazol-9-yl)-4-biphenylyl]boronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c3353-jpgcontextbwfzdgvyfhjvb3r8mza2odz8aw1hz2uvanblz3xonjgvade2lzg5mjk2nzqynjq2mdyvqzmzntmuanbnfgm5mdq2odkyyzg0mjuxzmi1mme0ndjlnzfhzdrkzjdlodmxnjrknmrmn2vlngyzmdu3n2qxntnkzmrkndczmdq.jpeg)
