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Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)
TL;DR: Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) (CAS 7512-22-3) is a chemical compound with molecular formula C22H10O3 and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-oxahexacyclo[13.6.2.02,10.05,9.012,22.019,23]tricosa-1(22),2(10),3,5(9),11,13,15(23),16,18,20-decaene-6,8-dione
Also Known As: Pyreno[2,9-dione, Pyreno[2,1-e]isobenzofuran-7,9-dione, Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI), benzo[def]chrysene-7,8-dicarboxylic acid-anhydride, Benzo[1,12]tetrapheno[8,9-c]furan-7,9-dione
| Molecular Formula | C22H10O3 |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.063 |
| Heavy Atoms | 25 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 7512-22-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC6=C5C(=O)OC6=O)C=C2 |
| InChIKey | JPGLKLACGIZZOV-UHFFFAOYSA-N |
Product Overview
Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) (CAS 7512-22-3), with molecular formula C22H10O3 and molecular weight 322.06 g/mol. IUPAC: 7-oxahexacyclo[13.6.2.02,10.05,9.012,22.019,23]tricosa-1(22),2(10),3,5(9),11,13,15(23),16,18,20-decaene-6,8-dione.
Chemical Property Profile of Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)
Property Insights of Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)
The XLogP value of 5.7 indicates that Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)?
The CAS number of Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) is 7512-22-3.
What is the molecular formula of Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)?
The molecular formula of Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) is C22H10O3.
What is the molecular weight of Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)?
The molecular weight of Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) is 322.06 g/mol.
Where can I buy Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)?
You can request a quote for Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Pyreno[2,1-e]isobenzofuran-7,9-dione(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.