2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro-
TL;DR: 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro- (CAS 19198-29-9) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-one
Also Known As: Bicyclo[5.4.0]undeca-7-ene-9-one, J2.170.793G, 3,4,4a,5,6,7,8,9-octahydro-benzocyclohepten-2-one, 1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-one, 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro-
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 19198-29-9 |
|---|---|
| SMILES | C1CCC2CCC(=O)C=C2CC1 |
| InChIKey | GWGBQUOWRUBYTJ-UHFFFAOYSA-N |
Product Overview
2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro- (CAS 19198-29-9), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-one.
Chemical Property Profile of 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro-
Property Insights of 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro-. With a topological polar surface area (TPSA) of 17.1 Ų, 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro- has 0 hydrogen bond donor(s) and 1 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 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro-?
The CAS number of 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro- is 19198-29-9.
What is the molecular formula of 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro-?
The molecular formula of 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro- is C11H16O.
What is the molecular weight of 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro-?
The molecular weight of 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro- is 164.12 g/mol.
Where can I buy 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro-?
You can request a quote for 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benzocyclohepten-2-one, 3,4,4a,5,6,7,8,9-octahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.