6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-
TL;DR: 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy- (CAS 49562-04-1) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
Also Known As: 2,3-Dimethoxy-4-hydroxy-6-oxobenzocycloheptane, 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-, 2,3-Dimethoxy-4-hydroxy-5,7,8,9-tetrahydro-6H-benzocyclohepten-6-one, 5,7,8,9-Tetrahydro-2,3-dimethoxy-4-hydroxy-6H-benzocyclohepten-6-one, 4-hydroxy-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 49562-04-1 |
|---|---|
| SMILES | COC1=C(C(=C2CC(=O)CCCC2=C1)O)OC |
| InChIKey | XJKVYEGXTAZKEQ-UHFFFAOYSA-N |
Product Overview
6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy- (CAS 49562-04-1), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 4-hydroxy-2,3-dimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.
Chemical Property Profile of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-
Property Insights of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-. With a topological polar surface area (TPSA) of 55.8 Ų, 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy- has 1 hydrogen bond donor(s) and 4 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 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-?
The CAS number of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy- is 49562-04-1.
What is the molecular formula of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-?
The molecular formula of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy- is C13H16O4.
What is the molecular weight of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-?
The molecular weight of 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy- is 236.10 g/mol.
Where can I buy 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-?
You can request a quote for 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Benzocyclohepten-6-one, 5,7,8,9-tetrahydro-2,3-dimethoxy-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.