Benz(a)anthracene 10,11-epoxide
TL;DR: Benz(a)anthracene 10,11-epoxide (CAS 79252-23-6) is a chemical compound with molecular formula C18H12O and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),7,10,12,14,16,18-octaene
Also Known As: Benz(a)anthracene 10,11-epoxide, 1a,11b-Dihydrotetrapheno[10,11-b]oxirene, Benz(7,8)anthra(1,2-b)oxirene, 1a,11b-dihydro-, (1aS)-, 5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),7,10,12,14,16,18-octaene, RefChem:117055
| Molecular Formula | C18H12O |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.08882 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 79252-23-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5C(O5)C=C4 |
| InChIKey | AKPXVSOREXXOAX-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene 10,11-epoxide (CAS 79252-23-6), with molecular formula C18H12O and molecular weight 244.09 g/mol. IUPAC: 5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),7,10,12,14,16,18-octaene.
Chemical Property Profile of Benz(a)anthracene 10,11-epoxide
Property Insights of Benz(a)anthracene 10,11-epoxide
The XLogP value of 4.3 indicates that Benz(a)anthracene 10,11-epoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Benz(a)anthracene 10,11-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene 10,11-epoxide 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 Benz(a)anthracene 10,11-epoxide?
The CAS number of Benz(a)anthracene 10,11-epoxide is 79252-23-6.
What is the molecular formula of Benz(a)anthracene 10,11-epoxide?
The molecular formula of Benz(a)anthracene 10,11-epoxide is C18H12O.
What is the molecular weight of Benz(a)anthracene 10,11-epoxide?
The molecular weight of Benz(a)anthracene 10,11-epoxide is 244.09 g/mol.
Where can I buy Benz(a)anthracene 10,11-epoxide?
You can request a quote for Benz(a)anthracene 10,11-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracene 10,11-epoxide?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene 10,11-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.