7H-Benzocyclohepten-7-one, 6-methyl-
TL;DR: 7H-Benzocyclohepten-7-one, 6-methyl- (CAS 4900-73-6) is a chemical compound with molecular formula C12H10O and molecular weight 170.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylbenzo[7]annulen-7-one
Also Known As: 6-methylbenzo[7]annulen-7-one, 7H-Benzocyclohepten-7-one, 6-methyl-, 6-methyl-benzocyclohepten-7-one, 6-Methyl-7H-benzo[7]annulen-7-one, 7H-Benzocyclohepten-7-one,6-methyl-
| Molecular Formula | C12H10O |
|---|---|
| Molecular Weight | 170.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.07317 |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 4900-73-6 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C=CC1=O |
| InChIKey | DVPSDPRLPHEFDN-UHFFFAOYSA-N |
Product Overview
7H-Benzocyclohepten-7-one, 6-methyl- (CAS 4900-73-6), with molecular formula C12H10O and molecular weight 170.07 g/mol. IUPAC: 6-methylbenzo[7]annulen-7-one.
Chemical Property Profile of 7H-Benzocyclohepten-7-one, 6-methyl-
Property Insights of 7H-Benzocyclohepten-7-one, 6-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Benzocyclohepten-7-one, 6-methyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 7H-Benzocyclohepten-7-one, 6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Benzocyclohepten-7-one, 6-methyl- 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-Benzocyclohepten-7-one, 6-methyl-?
The CAS number of 7H-Benzocyclohepten-7-one, 6-methyl- is 4900-73-6.
What is the molecular formula of 7H-Benzocyclohepten-7-one, 6-methyl-?
The molecular formula of 7H-Benzocyclohepten-7-one, 6-methyl- is C12H10O.
What is the molecular weight of 7H-Benzocyclohepten-7-one, 6-methyl-?
The molecular weight of 7H-Benzocyclohepten-7-one, 6-methyl- is 170.07 g/mol.
Where can I buy 7H-Benzocyclohepten-7-one, 6-methyl-?
You can request a quote for 7H-Benzocyclohepten-7-one, 6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Benzocyclohepten-7-one, 6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 7H-Benzocyclohepten-7-one, 6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.