3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene
TL;DR: 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene (CAS 71207-06-2) is a chemical compound with molecular formula C20H12O and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-oxahexacyclo[10.7.2.02,7.08,21.013,15.016,20]henicosa-1(20),2,4,6,8(21),9,11,16,18-nonaene
Also Known As: Benzo(e)pyrene 4,5-oxide, NIOSH/DJ5051500, 4,5-Dihydro-4,5-epoxybenzo(e)pyrene, 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene, Benzo(e)pyrene, 4,5-dihydro-4,5-epoxy-
| Molecular Formula | C20H12O |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.0888 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 71207-06-2 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC=C3)C5C(O5)C6=CC=CC(=C64)C2=C1 |
| InChIKey | UOOBFMOYDHLMRB-UHFFFAOYSA-N |
Product Overview
3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene (CAS 71207-06-2), with molecular formula C20H12O and molecular weight 268.09 g/mol. IUPAC: 14-oxahexacyclo[10.7.2.02,7.08,21.013,15.016,20]henicosa-1(20),2,4,6,8(21),9,11,16,18-nonaene.
Chemical Property Profile of 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene
Property Insights of 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene
The XLogP value of 3.9 indicates that 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene 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 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene?
The CAS number of 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene is 71207-06-2.
What is the molecular formula of 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene?
The molecular formula of 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene is C20H12O.
What is the molecular weight of 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene?
The molecular weight of 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene is 268.09 g/mol.
Where can I buy 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene?
You can request a quote for 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene?
Yes, KEHONG BIO provides custom synthesis services for 3b,4a-Dihydrobenzo(9,10)pyreno(4,5-b)oxirene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.