Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-
TL;DR: Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis- (CAS 119056-58-5) is a chemical compound with molecular formula C24H17NO6 and molecular weight 415.1056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate
Also Known As: Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-, 4,5-Dihydro-6-nitrobenzo(a)pyrene-4,5-diol diacetate (ester), cis-, (4R,5S)-6-Nitro-4,5-dihydrobenzo[pqr]tetraphene-4,5-diyl diacetate, [(4R,5S)-5-acetyloxy-6-nitro-4,5-dihydrobenzo[a]pyren-4-yl] acetate
Technical Specifications
| Molecular Formula | C24H17NO6 |
| Molecular Weight | 415.1056 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.1056 Da |
| Heavy Atoms | 31 |
| Complexity | 749.0 |
| SMILES | CC(=O)O[C@H]1[C@H](C2=C(C3=CC=CC=C3C4=C2C5=C(C=CC=C15)C=C4)[N+](=O)[O-])OC(=O)C |
| InChIKey | KXZAJPBVOLGMOQ-RPWUZVMVSA-N |
Chemical Property Profile of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-
Property Insights of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-
The XLogP value of 4.7 indicates that Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-. Following Lipinski's Rule of Five, Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis- has 0 hydrogen bond donor(s) and 6 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-, diacetate (ester), cis-?
The CAS number of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis- is 119056-58-5.
What is the molecular formula of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-?
The molecular formula of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis- is C24H17NO6.
What is the molecular weight of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-?
The molecular weight of Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis- is 415.1056 g/mol.
Where can I buy Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis-?
You can request a quote for Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), 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-, diacetate (ester), cis-?
Yes, CoreyChem provides custom synthesis services for Benzo(a)pyrene-4,5-diol, 4,5-dihydro-6-nitro-, diacetate (ester), cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.