3-Hydroxybenzo(a)pyrene
TL;DR: 3-Hydroxybenzo(a)pyrene (CAS 13345-21-6) 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-3-ol
Also Known As: benzo[a]pyren-3-ol, 3-Hydroxybenzo[a]pyrene, 3-Hydroxybenzo(a)pyrene, 3-Hydroxy Benzopyrene, Benzo[pqr]tetraphen-3-ol
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H12O |
| Molecular Weight | 268.0888 g/mol |
| XLogP | 5.9 |
| 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=CC=C2C3=C4C(=CC2=C1)C=CC5=C(C=CC(=C54)C=C3)O |
| InChIKey | SPUUWWRWIAEPDB-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxybenzo(a)pyrene
Property Insights of 3-Hydroxybenzo(a)pyrene
The XLogP value of 5.9 indicates that 3-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, 3-Hydroxybenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Hydroxybenzo(a)pyrene?
The CAS number of 3-Hydroxybenzo(a)pyrene is 13345-21-6.
What is the molecular formula of 3-Hydroxybenzo(a)pyrene?
The molecular formula of 3-Hydroxybenzo(a)pyrene is C20H12O.
What is the molecular weight of 3-Hydroxybenzo(a)pyrene?
The molecular weight of 3-Hydroxybenzo(a)pyrene is 268.0888 g/mol.
Where can I buy 3-Hydroxybenzo(a)pyrene?
You can request a quote for 3-Hydroxybenzo(a)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxybenzo(a)pyrene?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxybenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.