1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol
TL;DR: 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol (CAS 115084-29-2) is a chemical compound with molecular formula C16H13NO6 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol
Also Known As: 1-nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol, 4,5,9,10-Pyrenetetrol,4,5,9,10-tetrahydro-1-nitro-, 4,5,9,10-Pyrenetetrol,4,5,9,10-tetrahydro-1-nitro
| Molecular Formula | C16H13NO6 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 315.07428 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 115084-29-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(C(C4=C(C=CC(=C43)C(C2O)O)[N+](=O)[O-])O)O |
| InChIKey | ZINIYTPSXNBZPL-UHFFFAOYSA-N |
Product Overview
1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol (CAS 115084-29-2), with molecular formula C16H13NO6 and molecular weight 315.07 g/mol. IUPAC: 1-nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol.
Chemical Property Profile of 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol
Property Insights of 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol
The XLogP value of -0.5 indicates that 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol. Following Lipinski's Rule of Five, 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol has 4 hydrogen bond donor(s) and 6 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-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol?
The CAS number of 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol is 115084-29-2.
What is the molecular formula of 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol?
The molecular formula of 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol is C16H13NO6.
What is the molecular weight of 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol?
The molecular weight of 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol is 315.07 g/mol.
Where can I buy 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol?
You can request a quote for 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4,5,9,10-tetrahydropyrene-4,5,9,10-tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.