AB00682752-01
TL;DR: AB00682752-01 (CAS 314744-31-5) is a chemical compound with molecular formula C22H20O4 and molecular weight 348.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-9-(1-oxo-1-phenylpropan-2-yl)oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Also Known As: AB00682752-01, 7-methyl-9-(1-methyl-2-oxo-2-phenylethoxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one, 7-methyl-9-[(1-oxo-1-phenylpropan-2-yl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one, 7-methyl-9-((1-oxo-1-phenylpropan-2-yl)oxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one, 7-methyl-9-(1-methyl-2-oxo-2-phenylethoxy)-1,2,3,4-tetrahydrocyclopenta[c]chromen-4-one
| Molecular Formula | C22H20O4 |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | 4.24032 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.13617 |
| Heavy Atoms | 26 |
| Complexity | 1047.1655 |
Chemical Identifiers
| CAS Number | 314744-31-5 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OC(C)C(=O)C4=CC=CC=C4 |
Product Overview
AB00682752-01 (CAS 314744-31-5), with molecular formula C22H20O4 and molecular weight 348.14 g/mol. IUPAC: 7-methyl-9-(1-oxo-1-phenylpropan-2-yl)oxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
Chemical Property Profile of AB00682752-01
Property Insights of AB00682752-01
The XLogP value of 4.24032 indicates that AB00682752-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, AB00682752-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00682752-01 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 AB00682752-01?
The CAS number of AB00682752-01 is 314744-31-5.
What is the molecular formula of AB00682752-01?
The molecular formula of AB00682752-01 is C22H20O4.
What is the molecular weight of AB00682752-01?
The molecular weight of AB00682752-01 is 348.14 g/mol.
Where can I buy AB00682752-01?
You can request a quote for AB00682752-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682752-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682752-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.