3-Fluorobenzo(a,i)pyrene
TL;DR: 3-Fluorobenzo(a,i)pyrene (CAS 61735-77-1) is a chemical compound with molecular formula C24H13F and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluorohexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,8,10,12,14,16,18,20(24),21-dodecaene
Also Known As: 3-Fluorobenzo(a,i)pyrene, 3-Fluorobenzo(rst)pentaphene, 3-Fluorobenzo[rst]pentaphene, 3-Fluorodibenzo[a,i]pyrene, 3-fluorodibenzo[ a,i]pyrene
| Molecular Formula | C24H13F |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.10013 |
| Heavy Atoms | 25 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 61735-77-1 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=C(C=CC(=C6)F)C(=C54)C=C3 |
| InChIKey | RFZRVBKLYCYBKA-UHFFFAOYSA-N |
Product Overview
3-Fluorobenzo(a,i)pyrene (CAS 61735-77-1), with molecular formula C24H13F and molecular weight 320.10 g/mol. IUPAC: 5-fluorohexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,8,10,12,14,16,18,20(24),21-dodecaene.
Chemical Property Profile of 3-Fluorobenzo(a,i)pyrene
Property Insights of 3-Fluorobenzo(a,i)pyrene
The XLogP value of 7.4 indicates that 3-Fluorobenzo(a,i)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Fluorobenzo(a,i)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorobenzo(a,i)pyrene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Fluorobenzo(a,i)pyrene?
The CAS number of 3-Fluorobenzo(a,i)pyrene is 61735-77-1.
What is the molecular formula of 3-Fluorobenzo(a,i)pyrene?
The molecular formula of 3-Fluorobenzo(a,i)pyrene is C24H13F.
What is the molecular weight of 3-Fluorobenzo(a,i)pyrene?
The molecular weight of 3-Fluorobenzo(a,i)pyrene is 320.10 g/mol.
Where can I buy 3-Fluorobenzo(a,i)pyrene?
You can request a quote for 3-Fluorobenzo(a,i)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorobenzo(a,i)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorobenzo(a,i)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.