![CAS 2304634-19-1 4-[(3-Hydroxy-1-azetidinyl)Methyl]phenylboronic Acid Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82664475.gif)
CAS RN: 2304634-19-1
4-[(3-Hydroxy-1-azetidinyl)Methyl]phenylboronic Acid Hydrochloride
- Product code: SSC-111911
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, 0.1g
- Available purity: >95%
- Inventory rows with stock: 4
- 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.
2304634-19-1 / [4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]boronic acid;hydrochloride
Basic Information
CAS
2304634-19-1
Multi CAS
No
Molecular Formula
C10H15BClNO3
Molecular Weight
243.500000
Exact Mass
243.083351
SMILES
B(C1=CC=C(C=C1)CN2CC(C2)O)(O)O.Cl
InChI
InChI=1S/C10H14BNO3.ClH/c13-10-6-12(7-10)5-8-1-3-9(4-2-8)11(14)15;/h1-4,10,13-15H,5-7H2;1H
InChIKey
DIIIHTHRQYCYHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
64.8
TPSA
63.93
LogP / Solubility
WLOGP
-1.04
MLOGP
-0.91
XLogP3
-1.04
Consensus LogP
-1
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 2304634-59-9 {4-fluoro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB23358401.gif)
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