9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene
TL;DR: 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene (CAS 66788-11-2) is a chemical compound with molecular formula C20H14O and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-oxahexacyclo[10.7.2.05,20.08,21.013,19.014,16]henicosa-1,3,5(20),6,8(21),9,11,13(19)-octaene
Also Known As: B(e)P H4-9,10-Epoxide, 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene, Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-epoxy-, Benzo(e)pyrene, 9,10-epoxy-9,10,11,12-tetrahydro-, 9,10,10a,11a-tetrahydrobenzo[8,9]triphenyleno[1,2-b]oxirene
| Molecular Formula | C20H14O |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.10446 |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 66788-11-2 |
|---|---|
| SMILES | C1CC2=C(C3C1O3)C4=CC=CC5=C4C6=C(C=CC=C26)C=C5 |
| InChIKey | NFOQZWYTHSROKR-UHFFFAOYSA-N |
Product Overview
9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene (CAS 66788-11-2), with molecular formula C20H14O and molecular weight 270.10 g/mol. IUPAC: 15-oxahexacyclo[10.7.2.05,20.08,21.013,19.014,16]henicosa-1,3,5(20),6,8(21),9,11,13(19)-octaene.
Chemical Property Profile of 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene
Property Insights of 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene
The XLogP value of 4.9 indicates that 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene 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 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene?
The CAS number of 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene is 66788-11-2.
What is the molecular formula of 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene?
The molecular formula of 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene is C20H14O.
What is the molecular weight of 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene?
The molecular weight of 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene is 270.10 g/mol.
Where can I buy 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene?
You can request a quote for 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.