2-Bromo-2-cyclopentenone
TL;DR: 2-Bromo-2-cyclopentenone (CAS 76099-05-3) is a chemical compound with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-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-cyclopentenone, 4,5-Dihydro-1-(2-chlorophenyl)-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-chlorophenyl)-, 1-(2-Chlorophenyl)-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a][1,3]benzimidazole, 1-(2-Chlorophenyl)-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazole
| Molecular Formula | C17H13ClN2O2 |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 3.3198 |
| Topological Polar Surface Area | 36.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.06656 |
| Heavy Atoms | 22 |
| Complexity | 891.2513 |
Chemical Identifiers
| CAS Number | 76099-05-3 |
|---|---|
| SMILES | C1C2COC(O2)(C3=NC4=CC=CC=C4N31)C5=CC=CC=C5Cl |
Product Overview
2-Bromo-2-cyclopentenone (CAS 76099-05-3), with molecular formula C17H13ClN2O2 and molecular weight 312.07 g/mol. IUPAC: 1-(2-chlorophenyl)-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-cyclopentenone
Property Insights of 2-Bromo-2-cyclopentenone
The XLogP value of 3.3198 indicates that 2-Bromo-2-cyclopentenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.28 Ų, 2-Bromo-2-cyclopentenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-2-cyclopentenone 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-cyclopentenone?
The CAS number of 2-Bromo-2-cyclopentenone is 76099-05-3.
What is the molecular formula of 2-Bromo-2-cyclopentenone?
The molecular formula of 2-Bromo-2-cyclopentenone is C17H13ClN2O2.
What is the molecular weight of 2-Bromo-2-cyclopentenone?
The molecular weight of 2-Bromo-2-cyclopentenone is 312.07 g/mol.
Where can I buy 2-Bromo-2-cyclopentenone?
You can request a quote for 2-Bromo-2-cyclopentenone 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-cyclopentenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-2-cyclopentenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.