2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-
TL;DR: 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans- (CAS 55103-68-9) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-methyl-1,2,4,5,6,7,8,9,10,10a-decahydrobenzo[8]annulen-3-one
Also Known As: 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-, 10a-methyldecahydrobenzo[8]annulen-2(1H)-one, 10a-Methyldecahydrobenzo[a]cycloocten-2(1H)-one #, DECAHYDRO-10A-METHYL-2(1H)-BENXOCYCLOOCTENONE *, 4a-methyl-1,2,4,5,6,7,8,9,10,10a-decahydrobenzo[8]annulen-3-one
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 55103-68-9 |
|---|---|
| SMILES | CC12CCCCCCC1CCC(=O)C2 |
| InChIKey | KRCBVVHKFKNISV-UHFFFAOYSA-N |
Product Overview
2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans- (CAS 55103-68-9), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 4a-methyl-1,2,4,5,6,7,8,9,10,10a-decahydrobenzo[8]annulen-3-one.
Chemical Property Profile of 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-
Property Insights of 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-
The XLogP value of 4.0 indicates that 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans- 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 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-?
The CAS number of 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans- is 55103-68-9.
What is the molecular formula of 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-?
The molecular formula of 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans- is C13H22O.
What is the molecular weight of 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-?
The molecular weight of 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans- is 194.17 g/mol.
Where can I buy 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-?
You can request a quote for 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Benzocyclooctenone, decahydro-10a-methyl-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.