7H-Benzocyclohept-7-one,2,3-dimethyl-
TL;DR: 7H-Benzocyclohept-7-one,2,3-dimethyl- (CAS 55027-90-2) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
Also Known As: 7H-Benzocyclohept-7-one,2,3-dimethyl-, 2,3-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-7-one, 2,3-dimethyl-5,6,8,9-tetrahydro-7H-benzo[7]annulen-7-one
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 55027-90-2 |
|---|---|
| SMILES | CC1=CC2=C(CCC(=O)CC2)C=C1C |
| InChIKey | CXCATVOZSHFPSU-UHFFFAOYSA-N |
Product Overview
7H-Benzocyclohept-7-one,2,3-dimethyl- (CAS 55027-90-2), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 2,3-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-7-one.
Chemical Property Profile of 7H-Benzocyclohept-7-one,2,3-dimethyl-
Property Insights of 7H-Benzocyclohept-7-one,2,3-dimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Benzocyclohept-7-one,2,3-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 7H-Benzocyclohept-7-one,2,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Benzocyclohept-7-one,2,3-dimethyl- 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 7H-Benzocyclohept-7-one,2,3-dimethyl-?
The CAS number of 7H-Benzocyclohept-7-one,2,3-dimethyl- is 55027-90-2.
What is the molecular formula of 7H-Benzocyclohept-7-one,2,3-dimethyl-?
The molecular formula of 7H-Benzocyclohept-7-one,2,3-dimethyl- is C13H16O.
What is the molecular weight of 7H-Benzocyclohept-7-one,2,3-dimethyl-?
The molecular weight of 7H-Benzocyclohept-7-one,2,3-dimethyl- is 188.12 g/mol.
Where can I buy 7H-Benzocyclohept-7-one,2,3-dimethyl-?
You can request a quote for 7H-Benzocyclohept-7-one,2,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Benzocyclohept-7-one,2,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 7H-Benzocyclohept-7-one,2,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.