o-chlorobenzoylacetone
TL;DR: o-chlorobenzoylacetone (CAS 56468-14-5) is a chemical compound with molecular formula C11H15N3O3 and molecular weight 237.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-methoxy-3-methyl-8H-imidazo[1,5-a]pyrazine-7-carboxylate
Also Known As: o-chlorobenzoylacetone, ethyl 8-methoxy-3-methyl-8H-imidazo[1,5-a]pyrazine-7-carboxylate, Ethyl 8-methoxy-3-methylimidazo[1,5-a]pyrazine-7(8H)-carboxylate, ETHYL 5-METHOXY-9-METHYL-1,4,8-TRIAZABICYCLO[4.3.0]NONA-2,6,8-TRIENE-4-CARBOXYLATE
| Molecular Formula | C11H15N3O3 |
|---|---|
| Molecular Weight | 237.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.11134 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 56468-14-5 |
|---|---|
| SMILES | CCOC(=O)N1C=CN2C(=NC=C2C1OC)C |
| InChIKey | LJFFADLXQHTCHK-UHFFFAOYSA-N |
Product Overview
o-chlorobenzoylacetone (CAS 56468-14-5), with molecular formula C11H15N3O3 and molecular weight 237.11 g/mol. IUPAC: ethyl 8-methoxy-3-methyl-8H-imidazo[1,5-a]pyrazine-7-carboxylate.
Chemical Property Profile of o-chlorobenzoylacetone
Property Insights of o-chlorobenzoylacetone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-chlorobenzoylacetone. With a topological polar surface area (TPSA) of 56.6 Ų, o-chlorobenzoylacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-chlorobenzoylacetone has 0 hydrogen bond donor(s) and 4 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 o-chlorobenzoylacetone?
The CAS number of o-chlorobenzoylacetone is 56468-14-5.
What is the molecular formula of o-chlorobenzoylacetone?
The molecular formula of o-chlorobenzoylacetone is C11H15N3O3.
What is the molecular weight of o-chlorobenzoylacetone?
The molecular weight of o-chlorobenzoylacetone is 237.11 g/mol.
Where can I buy o-chlorobenzoylacetone?
You can request a quote for o-chlorobenzoylacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-chlorobenzoylacetone?
Yes, KEHONG BIO provides custom synthesis services for o-chlorobenzoylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.