Benzo(a)pyrene 4,5-epoxide
TL;DR: Benzo(a)pyrene 4,5-epoxide (CAS 37574-47-3) 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.
18-oxahexacyclo[10.7.2.03,8.09,20.016,21.017,19]henicosa-1,3,5,7,9(20),10,12(21),13,15-nonaene
Also Known As: BP 4,5-Epoxide, Benzo[a]pyrene-4,5-oxide, BP 4,5-Oxide, Benz(a)pyrene 4,5-oxide, Benzo(a)pyrene 4,5-epoxide
| Molecular Formula | C20H12O |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 4.7 |
| 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 | 445.0 |
Chemical Identifiers
| CAS Number | 37574-47-3 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C5C(O5)C6=CC=CC(=C64)C=C3 |
| InChIKey | XGZQLNASOQVQTD-UHFFFAOYSA-N |
Product Overview
Benzo(a)pyrene 4,5-epoxide (CAS 37574-47-3), with molecular formula C20H12O and molecular weight 268.09 g/mol. IUPAC: 18-oxahexacyclo[10.7.2.03,8.09,20.016,21.017,19]henicosa-1,3,5,7,9(20),10,12(21),13,15-nonaene.
Chemical Property Profile of Benzo(a)pyrene 4,5-epoxide
Property Insights of Benzo(a)pyrene 4,5-epoxide
The XLogP value of 4.7 indicates that Benzo(a)pyrene 4,5-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, Benzo(a)pyrene 4,5-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene 4,5-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 Benzo(a)pyrene 4,5-epoxide?
The CAS number of Benzo(a)pyrene 4,5-epoxide is 37574-47-3.
What is the molecular formula of Benzo(a)pyrene 4,5-epoxide?
The molecular formula of Benzo(a)pyrene 4,5-epoxide is C20H12O.
What is the molecular weight of Benzo(a)pyrene 4,5-epoxide?
The molecular weight of Benzo(a)pyrene 4,5-epoxide is 268.09 g/mol.
Where can I buy Benzo(a)pyrene 4,5-epoxide?
You can request a quote for Benzo(a)pyrene 4,5-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrene 4,5-epoxide?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene 4,5-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.