4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-
TL;DR: 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans- (CAS 86674-50-2) 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.
(4R,5R)-1-nitro-4,5-dihydropyrene-4,5-diol
Also Known As: trans-4,5-Dihydro-4,5-dihydroxy-1-nitropyrene, trans-4,5-Dihydro-1-nitro-4,5-pyrenediol, 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-, (4R,5R)-1-nitro-4,5-dihydropyrene-4,5-diol, 4,5-Dihydro-1-nitropyrene-4beta,5alpha-diol
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.9816 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 918.9333 |
Chemical Identifiers
| CAS Number | 86674-50-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)[C@H]([C@@H](C4=C3C(=C(C=C4)[N+](=O)[O-])C=C2)O)O |
Product Overview
4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans- (CAS 86674-50-2), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: (4R,5R)-1-nitro-4,5-dihydropyrene-4,5-diol.
Chemical Property Profile of 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-
Property Insights of 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-
The XLogP value of 2.9816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-. Following Lipinski's Rule of Five, 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans- 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 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-?
The CAS number of 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans- is 86674-50-2.
What is the molecular formula of 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-?
The molecular formula of 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans- is C16H11NO4.
What is the molecular weight of 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-?
The molecular weight of 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans- is 281.07 g/mol.
Where can I buy 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-?
You can request a quote for 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans-?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Pyrenediol, 4,5-dihydro-1-nitro-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.