5-Carbomethoxydibenzosemibullvalen
TL;DR: 5-Carbomethoxydibenzosemibullvalen (CAS 6580-23-0) is a chemical compound with molecular formula C18H14O2 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxylate
Also Known As: 5-Carbomethoxydibenzosemibullvalen, Methyl 8c,8e-dihydrodibenzo[a,f]cyclopropa[cd]pentalene-4b(8bH)-carboxylate, Methyl pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxylate
| Molecular Formula | C18H14O2 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.09937 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 6580-23-0 |
|---|---|
| SMILES | COC(=O)C12C3C(C3C4=CC=CC=C41)C5=CC=CC=C25 |
| InChIKey | JYMVLSQYBZHEOU-UHFFFAOYSA-N |
Product Overview
5-Carbomethoxydibenzosemibullvalen (CAS 6580-23-0), with molecular formula C18H14O2 and molecular weight 262.10 g/mol. IUPAC: methyl pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene-9-carboxylate.
Chemical Property Profile of 5-Carbomethoxydibenzosemibullvalen
Property Insights of 5-Carbomethoxydibenzosemibullvalen
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Carbomethoxydibenzosemibullvalen. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Carbomethoxydibenzosemibullvalen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Carbomethoxydibenzosemibullvalen has 0 hydrogen bond donor(s) and 2 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 5-Carbomethoxydibenzosemibullvalen?
The CAS number of 5-Carbomethoxydibenzosemibullvalen is 6580-23-0.
What is the molecular formula of 5-Carbomethoxydibenzosemibullvalen?
The molecular formula of 5-Carbomethoxydibenzosemibullvalen is C18H14O2.
What is the molecular weight of 5-Carbomethoxydibenzosemibullvalen?
The molecular weight of 5-Carbomethoxydibenzosemibullvalen is 262.10 g/mol.
Where can I buy 5-Carbomethoxydibenzosemibullvalen?
You can request a quote for 5-Carbomethoxydibenzosemibullvalen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Carbomethoxydibenzosemibullvalen?
Yes, KEHONG BIO provides custom synthesis services for 5-Carbomethoxydibenzosemibullvalen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.