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6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
TL;DR: 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one (CAS 40685-11-8) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
Also Known As: 2-Hydroxymethylenebenzosuber-1-one, 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-(hydroxymethylene)-, 6,7,8,9-Tetrahydro-6-(hydroxymethylene)-5H-benzocyclohepten-5-one
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 40685-11-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=O)C(=CO)C1 |
| InChIKey | QAQKFPLTAXDACH-UHFFFAOYSA-N |
Product Overview
6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one (CAS 40685-11-8), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one.
Chemical Property Profile of 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
Property Insights of 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
The XLogP value of 3.0 indicates that 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one has 1 hydrogen bond donor(s) and 2 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 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one?
The CAS number of 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one is 40685-11-8.
What is the molecular formula of 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one?
The molecular formula of 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one is C12H12O2.
What is the molecular weight of 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one?
The molecular weight of 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one is 188.08 g/mol.
Where can I buy 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one?
You can request a quote for 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(hydroxymethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.