9-Hydroxybenzo(a)pyrene
TL;DR: 9-Hydroxybenzo(a)pyrene (CAS 17573-21-6) is a chemical compound with molecular formula C20H12O and molecular weight 268.0888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzo[a]pyren-9-ol
Also Known As: benzo[a]pyren-9-ol, 9-Hydroxy Benzopyrene, 9-Hydroxybenzo[a]pyrene, 9-Hydroxybenzo(a)pyrene, benzo[pqr]tetraphen-9-ol
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H12O |
| Molecular Weight | 268.0888 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.0888 Da |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C5C=C(C=CC5=CC(=C43)C=C2)O |
| InChIKey | OBBBXCAFTKLFGZ-UHFFFAOYSA-N |
Chemical Property Profile of 9-Hydroxybenzo(a)pyrene
Property Insights of 9-Hydroxybenzo(a)pyrene
The XLogP value of 5.8 indicates that 9-Hydroxybenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 9-Hydroxybenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Hydroxybenzo(a)pyrene has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 9-Hydroxybenzo(a)pyrene?
The CAS number of 9-Hydroxybenzo(a)pyrene is 17573-21-6.
What is the molecular formula of 9-Hydroxybenzo(a)pyrene?
The molecular formula of 9-Hydroxybenzo(a)pyrene is C20H12O.
What is the molecular weight of 9-Hydroxybenzo(a)pyrene?
The molecular weight of 9-Hydroxybenzo(a)pyrene is 268.0888 g/mol.
Where can I buy 9-Hydroxybenzo(a)pyrene?
You can request a quote for 9-Hydroxybenzo(a)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Hydroxybenzo(a)pyrene?
Yes, CoreyChem provides custom synthesis services for 9-Hydroxybenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.