1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
TL;DR: 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile (CAS 338748-75-7) is a chemical compound with molecular formula C14H13BrN2O and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonitrile
Also Known As: 1-(4-bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4M-923, 1-[(4-bromophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonitrile, bromobenzylmethyloxotetrahydropyridinecarbonitrile
| Molecular Formula | C14H13BrN2O |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 3.36908 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.02112 |
| Heavy Atoms | 18 |
| Complexity | 539.9076 |
Chemical Identifiers
| CAS Number | 338748-75-7 |
|---|---|
| SMILES | CC1=C(CCC(=O)N1CC2=CC=C(C=C2)Br)C#N |
Product Overview
1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile (CAS 338748-75-7), with molecular formula C14H13BrN2O and molecular weight 304.02 g/mol. IUPAC: 1-[(4-bromophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonitrile.
Chemical Property Profile of 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
Property Insights of 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
The XLogP value of 3.36908 indicates that 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile has 0 hydrogen bond donor(s) and 2 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 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The CAS number of 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is 338748-75-7.
What is the molecular formula of 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The molecular formula of 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is C14H13BrN2O.
What is the molecular weight of 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The molecular weight of 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is 304.02 g/mol.
Where can I buy 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
You can request a quote for 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.