Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-
TL;DR: Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis- (CAS 119087-38-6) is a chemical compound with molecular formula C20H13NO4 and molecular weight 331.08447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,5S)-6-nitro-4,5-dihydrobenzo[a]pyrene-4,5-diol
Also Known As: 4,5-Dihydro-6-nitrobenzo(a)pyrene-4,5-diol cis-, Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-, (4R,5S)-6-nitro-4,5-dihydrobenzo[a]pyrene-4,5-diol, (4R,5S)-6-Nitro-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol
Technical Specifications
| Molecular Formula | C20H13NO4 |
| Molecular Weight | 331.08447 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 331.08447 Da |
| Heavy Atoms | 25 |
| Complexity | 548.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2[N+](=O)[O-])[C@@H]([C@@H](C5=CC=CC(=C54)C=C3)O)O |
| InChIKey | UBXHWWDTLKMUPE-UXHICEINSA-N |
Chemical Property Profile of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-
Property Insights of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-
The XLogP value of 3.6 indicates that Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-. Following Lipinski's Rule of Five, Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis- has 2 hydrogen bond donor(s) and 4 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-4,5-diol, 4,5-dihydro-6-nitro-, cis-?
The CAS number of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis- is 119087-38-6.
What is the molecular formula of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-?
The molecular formula of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis- is C20H13NO4.
What is the molecular weight of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-?
The molecular weight of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis- is 331.08447 g/mol.
Where can I buy Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-?
You can request a quote for Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis-?
Yes, CoreyChem provides custom synthesis services for Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.