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Boronic acid,[4-[(methoxyimino)methyl]phenyl]
TL;DR: Boronic acid,[4-[(methoxyimino)methyl]phenyl] (CAS 393820-71-8) is a chemical compound with molecular formula C20H17N5O2 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: Boronic acid,[4-[(methoxyimino)methyl]phenyl], BRD-K44225613-001-07-0, N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
| Molecular Formula | C20H17N5O2 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 3.46472 |
| Topological Polar Surface Area | 74.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.1382 |
| Heavy Atoms | 27 |
| Complexity | 1138.3875 |
Chemical Identifiers
| CAS Number | 393820-71-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3=NC=NC(=C3C=N2)NCC4=CC5=C(C=C4)OCO5 |
Product Overview
Boronic acid,[4-[(methoxyimino)methyl]phenyl] (CAS 393820-71-8), with molecular formula C20H17N5O2 and molecular weight 359.14 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of Boronic acid,[4-[(methoxyimino)methyl]phenyl]
Property Insights of Boronic acid,[4-[(methoxyimino)methyl]phenyl]
The XLogP value of 3.46472 indicates that Boronic acid,[4-[(methoxyimino)methyl]phenyl] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Boronic acid,[4-[(methoxyimino)methyl]phenyl]. Following Lipinski's Rule of Five, Boronic acid,[4-[(methoxyimino)methyl]phenyl] has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Boronic acid,[4-[(methoxyimino)methyl]phenyl]?
The CAS number of Boronic acid,[4-[(methoxyimino)methyl]phenyl] is 393820-71-8.
What is the molecular formula of Boronic acid,[4-[(methoxyimino)methyl]phenyl]?
The molecular formula of Boronic acid,[4-[(methoxyimino)methyl]phenyl] is C20H17N5O2.
What is the molecular weight of Boronic acid,[4-[(methoxyimino)methyl]phenyl]?
The molecular weight of Boronic acid,[4-[(methoxyimino)methyl]phenyl] is 359.14 g/mol.
Where can I buy Boronic acid,[4-[(methoxyimino)methyl]phenyl]?
You can request a quote for Boronic acid,[4-[(methoxyimino)methyl]phenyl] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boronic acid,[4-[(methoxyimino)methyl]phenyl]?
Yes, KEHONG BIO provides custom synthesis services for Boronic acid,[4-[(methoxyimino)methyl]phenyl] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.