2-bromo-2-methyl-propionaldehyde
TL;DR: 2-bromo-2-methyl-propionaldehyde (CAS 76099-07-5) is a chemical compound with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Also Known As: 2-bromo-2-methyl-propionaldehyde, 4,5-Dihydro-1-(2-methylphenyl)-1,4-epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-(2-methylphenyl)-, 1-(2-Methylphenyl)-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a][1,3]benzimidazole, 1-(2-Methylphenyl)-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazole
| Molecular Formula | C18H16N2O2 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 2.97482 |
| Topological Polar Surface Area | 36.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.1212 |
| Heavy Atoms | 22 |
| Complexity | 885.67944 |
Chemical Identifiers
| CAS Number | 76099-07-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C23C4=NC5=CC=CC=C5N4CC(O2)CO3 |
Product Overview
2-bromo-2-methyl-propionaldehyde (CAS 76099-07-5), with molecular formula C18H16N2O2 and molecular weight 292.12 g/mol. IUPAC: 1-(2-methylphenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene.
Chemical Property Profile of 2-bromo-2-methyl-propionaldehyde
Property Insights of 2-bromo-2-methyl-propionaldehyde
The XLogP value of 2.97482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-2-methyl-propionaldehyde. With a topological polar surface area (TPSA) of 36.28 Ų, 2-bromo-2-methyl-propionaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-2-methyl-propionaldehyde has 0 hydrogen bond donor(s) and 3 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 2-bromo-2-methyl-propionaldehyde?
The CAS number of 2-bromo-2-methyl-propionaldehyde is 76099-07-5.
What is the molecular formula of 2-bromo-2-methyl-propionaldehyde?
The molecular formula of 2-bromo-2-methyl-propionaldehyde is C18H16N2O2.
What is the molecular weight of 2-bromo-2-methyl-propionaldehyde?
The molecular weight of 2-bromo-2-methyl-propionaldehyde is 292.12 g/mol.
Where can I buy 2-bromo-2-methyl-propionaldehyde?
You can request a quote for 2-bromo-2-methyl-propionaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-2-methyl-propionaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-2-methyl-propionaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.