Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-
TL;DR: Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro- (CAS 120014-86-0) is a chemical compound with molecular formula C20H15NO3 and molecular weight 317.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
Also Known As: 7,8,9,10-Tetrahydro-3-nitrobenzo(a)pyren-7-ol, Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-, 3-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol, 3-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-ol
Technical Specifications
| Molecular Formula | C20H15NO3 |
| Molecular Weight | 317.1052 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 317.1052 Da |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
| SMILES | C1CC(C2=C(C1)C3=C4C(=C2)C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-])O |
| InChIKey | FKSUNMOWAIFBFJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-
Property Insights of Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-
The XLogP value of 4.8 indicates that Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-. Following Lipinski's Rule of Five, Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro- has 1 hydrogen bond donor(s) and 3 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)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-?
The CAS number of Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro- is 120014-86-0.
What is the molecular formula of Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-?
The molecular formula of Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro- is C20H15NO3.
What is the molecular weight of Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-?
The molecular weight of Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro- is 317.1052 g/mol.
Where can I buy Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-?
You can request a quote for Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-?
Yes, CoreyChem provides custom synthesis services for Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.