5H-Dibenzo(a,c)cyclohepten-5-one
TL;DR: 5H-Dibenzo(a,c)cyclohepten-5-one (CAS 4444-43-3) is a chemical compound with molecular formula C15H10O and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
Also Known As: 5H-Dibenzo[a,c]cyclohepten-5-one, 5H-Dibenzo(a,c)cyclohepten-5-one, dibenzo[a,c]cyclohepten-5-one, 5H-Dibenzo
| Molecular Formula | C15H10O |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.07317 |
| Heavy Atoms | 16 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 4444-43-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=O)C3=CC=CC=C23 |
| InChIKey | WJFOWHGZSALYEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5H-Dibenzo(a,c)cyclohepten-5-one (CAS 4444-43-3), with molecular formula C15H10O and molecular weight 206.07 g/mol. IUPAC: tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one.
Chemical Property Profile of 5H-Dibenzo(a,c)cyclohepten-5-one
Property Insights of 5H-Dibenzo(a,c)cyclohepten-5-one
The XLogP value of 3.6 indicates that 5H-Dibenzo(a,c)cyclohepten-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5H-Dibenzo(a,c)cyclohepten-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Dibenzo(a,c)cyclohepten-5-one 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 5H-Dibenzo(a,c)cyclohepten-5-one?
The CAS number of 5H-Dibenzo(a,c)cyclohepten-5-one is 4444-43-3.
What is the molecular formula of 5H-Dibenzo(a,c)cyclohepten-5-one?
The molecular formula of 5H-Dibenzo(a,c)cyclohepten-5-one is C15H10O.
What is the molecular weight of 5H-Dibenzo(a,c)cyclohepten-5-one?
The molecular weight of 5H-Dibenzo(a,c)cyclohepten-5-one is 206.07 g/mol.
Where can I buy 5H-Dibenzo(a,c)cyclohepten-5-one?
You can request a quote for 5H-Dibenzo(a,c)cyclohepten-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Dibenzo(a,c)cyclohepten-5-one?
Yes, KEHONG BIO provides custom synthesis services for 5H-Dibenzo(a,c)cyclohepten-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.