6-Oxiranylbenzo(a)pyrene
TL;DR: 6-Oxiranylbenzo(a)pyrene (CAS 61695-69-0) is a chemical compound with molecular formula C22H14O and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzo[b]pyren-6-yloxirane
Also Known As: 6-Oxiranylbenzo(a)pyrene, 6-Oxiranylbenzo[a]pyrene, 2-benzo[b]pyren-6-yloxirane, Oxirane, benzo(a)pyren-6-yl-, BENZO(a)PYRENE, 6-OXIRANYL-
| Molecular Formula | C22H14O |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.10446 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 61695-69-0 |
|---|---|
| SMILES | C1C(O1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62 |
| InChIKey | SZOGYVPLFPZVIH-UHFFFAOYSA-N |
Product Overview
6-Oxiranylbenzo(a)pyrene (CAS 61695-69-0), with molecular formula C22H14O and molecular weight 294.10 g/mol. IUPAC: 2-benzo[b]pyren-6-yloxirane.
Chemical Property Profile of 6-Oxiranylbenzo(a)pyrene
Property Insights of 6-Oxiranylbenzo(a)pyrene
The XLogP value of 5.7 indicates that 6-Oxiranylbenzo(a)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, 6-Oxiranylbenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxiranylbenzo(a)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 6-Oxiranylbenzo(a)pyrene?
The CAS number of 6-Oxiranylbenzo(a)pyrene is 61695-69-0.
What is the molecular formula of 6-Oxiranylbenzo(a)pyrene?
The molecular formula of 6-Oxiranylbenzo(a)pyrene is C22H14O.
What is the molecular weight of 6-Oxiranylbenzo(a)pyrene?
The molecular weight of 6-Oxiranylbenzo(a)pyrene is 294.10 g/mol.
Where can I buy 6-Oxiranylbenzo(a)pyrene?
You can request a quote for 6-Oxiranylbenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxiranylbenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxiranylbenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.