Benzo(a)pyrene-3,6-quinol monoglucuronide
TL;DR: Benzo(a)pyrene-3,6-quinol monoglucuronide (CAS 144909-62-6) is a chemical compound with molecular formula C26H20O8 and molecular weight 460.1158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid
Also Known As: BP-3,6-Quinol-GL, Benzo(a)pyrene-3,6-quinol monoglucuronide, Benzo(a)pyrene-3,6-quinol glucuronide, Benzo(a)pyrene, beta-D-glucopyranosiduronic acid deriv., beta-D-Glucopyranosiduronic acid, 3-hydroxybenzo(a)pyren-6-yl
Technical Specifications
| Molecular Formula | C26H20O8 |
| Molecular Weight | 460.1158 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.1158 Da |
| Heavy Atoms | 34 |
| Complexity | 776.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=CC6=C(C=CC(=C64)C=C3)O |
| InChIKey | XZAGDEZGFQNXIS-SNYRDRRFSA-N |
Chemical Property Profile of Benzo(a)pyrene-3,6-quinol monoglucuronide
Property Insights of Benzo(a)pyrene-3,6-quinol monoglucuronide
The XLogP value of 4.0 indicates that Benzo(a)pyrene-3,6-quinol monoglucuronide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)pyrene-3,6-quinol monoglucuronide. Following Lipinski's Rule of Five, Benzo(a)pyrene-3,6-quinol monoglucuronide has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzo(a)pyrene-3,6-quinol monoglucuronide?
The CAS number of Benzo(a)pyrene-3,6-quinol monoglucuronide is 144909-62-6.
What is the molecular formula of Benzo(a)pyrene-3,6-quinol monoglucuronide?
The molecular formula of Benzo(a)pyrene-3,6-quinol monoglucuronide is C26H20O8.
What is the molecular weight of Benzo(a)pyrene-3,6-quinol monoglucuronide?
The molecular weight of Benzo(a)pyrene-3,6-quinol monoglucuronide is 460.1158 g/mol.
Where can I buy Benzo(a)pyrene-3,6-quinol monoglucuronide?
You can request a quote for Benzo(a)pyrene-3,6-quinol monoglucuronide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(a)pyrene-3,6-quinol monoglucuronide?
Yes, CoreyChem provides custom synthesis services for Benzo(a)pyrene-3,6-quinol monoglucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.