4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-
TL;DR: 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis- (CAS 91254-95-4) 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.
(4S,5R)-3-nitro-4,5-dihydropyrene-4,5-diol
Also Known As: 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-, (4S,5R)-3-nitro-4,5-dihydropyrene-4,5-diol, (4S,5S)-3-nitro-4,5-dihydropyrene-4,5-diol, 4-Hexenoic acid,6-(4-chlorophenyl)-2-hydroxy-6-oxo
| 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 | 91254-95-4 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)[C@H]([C@H](C4=C(C=CC(=C43)C=C2)[N+](=O)[O-])O)O |
| InChIKey | UERICTZYIDOLBM-CVEARBPZSA-N |
Product Overview
4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis- (CAS 91254-95-4), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: (4S,5R)-3-nitro-4,5-dihydropyrene-4,5-diol.
Chemical Property Profile of 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-
Property Insights of 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-. Following Lipinski's Rule of Five, 4,5-Pyrenediol, 4,5-dihydro-3-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
Frequently Asked Questions
What is the CAS number of 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-?
The CAS number of 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis- is 91254-95-4.
What is the molecular formula of 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-?
The molecular formula of 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis- is C16H11NO4.
What is the molecular weight of 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-?
The molecular weight of 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis- is 281.07 g/mol.
Where can I buy 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis-?
You can request a quote for 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis- 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-3-nitro-, cis-?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Pyrenediol, 4,5-dihydro-3-nitro-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.