1-Nitro-4,5-dihydro-4,5-dihydroxypyrene
TL;DR: 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene (CAS 91254-94-3) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4,5-dihydropyrene-4,5-diol
Also Known As: K-DHD, 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene, 1-nitro-4,5-dihydropyrene-4,5-diol, 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, 4,5-Dihydro-1-nitropyrene-4,5-diol
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 91254-94-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(C(C4=C3C(=C(C=C4)[N+](=O)[O-])C=C2)O)O |
| InChIKey | OLIXQTVIIHUWKL-UHFFFAOYSA-N |
Product Overview
1-Nitro-4,5-dihydro-4,5-dihydroxypyrene (CAS 91254-94-3), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: 1-nitro-4,5-dihydropyrene-4,5-diol.
Chemical Property Profile of 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene
Property Insights of 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene. Following Lipinski's Rule of Five, 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene 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
Frequently Asked Questions
What is the CAS number of 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene?
The CAS number of 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene is 91254-94-3.
What is the molecular formula of 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene?
The molecular formula of 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene is C16H11NO4.
What is the molecular weight of 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene?
The molecular weight of 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene is 281.07 g/mol.
Where can I buy 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene?
You can request a quote for 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4,5-dihydro-4,5-dihydroxypyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.