9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate
TL;DR: 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate (CAS 1244-58-2) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-4-yl) acetate
Also Known As: 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate, NCI60_028763, (5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-4-yl) acetate, 5H-Benzocyclohepten-5-one,4-(acetyloxy)-6,7,8,9-tetrahydro-, 4-(ACETYLOXY)-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-ONE
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 1244-58-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=C1C(=O)CCCC2 |
| InChIKey | YCYLKMWPCPPMFM-UHFFFAOYSA-N |
Product Overview
9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate (CAS 1244-58-2), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: (5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-4-yl) acetate.
Chemical Property Profile of 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate
Property Insights of 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate 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 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate?
The CAS number of 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate is 1244-58-2.
What is the molecular formula of 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate?
The molecular formula of 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate is C13H14O3.
What is the molecular weight of 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate?
The molecular weight of 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate is 218.09 g/mol.
Where can I buy 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate?
You can request a quote for 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Oxo-6,7,8,9-tetrahydro-5H-benzo(a)cyclohepten-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.