BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL-
TL;DR: BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL- (CAS 42978-42-7) is a chemical compound with molecular formula C28H18O2 and molecular weight 386.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzo[b]pyren-6-ylmethyl benzoate
Also Known As: 6-Benzoyloxymethylbenzo(a)pyrene, BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL-, 6-BENZOYLOXYMETHYLBENZO[A]PYRENE, 6-BENZOYLOXYMETHYLBENZO PYRENE, benzo[a]pyren-6-ylmethyl benzoate
Technical Specifications
| Molecular Formula | C28H18O2 |
| Molecular Weight | 386.13068 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.13068 Da |
| Heavy Atoms | 30 |
| Complexity | 622.0 |
| SMILES | C1=CC=C(C=C1)C(=O)OCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62 |
| InChIKey | MEGZLHDPOVJNPI-UHFFFAOYSA-N |
Chemical Property Profile of BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL-
Property Insights of BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL-
The XLogP value of 7.6 indicates that BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL-?
The CAS number of BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL- is 42978-42-7.
What is the molecular formula of BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL-?
The molecular formula of BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL- is C28H18O2.
What is the molecular weight of BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL-?
The molecular weight of BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL- is 386.13068 g/mol.
Where can I buy BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL-?
You can request a quote for BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL-?
Yes, CoreyChem provides custom synthesis services for BENZO(a)PYRENE, 6-BENZOYLOXYMETHYL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.