Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro-
TL;DR: Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro- (CAS 88535-47-1) is a chemical compound with molecular formula C16H15NO2 and molecular weight 253.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1,2,3,6,7,8-hexahydropyrene
Also Known As: 4-nitro-1,2,3,6,7,8-hexahydropyrene, Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro-, 9-Nitro-1,2,3,6,7,8-hexahydropyrene, J2.816.488B, RefChem:376311
| Molecular Formula | C16H15NO2 |
|---|---|
| Molecular Weight | 253.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.11028 |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 88535-47-1 |
|---|---|
| SMILES | C1CC2=C3C(=CC(=C4C3=C(CCC4)C=C2)[N+](=O)[O-])C1 |
| InChIKey | KVZSMBRWPWEQHJ-UHFFFAOYSA-N |
Product Overview
Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro- (CAS 88535-47-1), with molecular formula C16H15NO2 and molecular weight 253.11 g/mol. IUPAC: 4-nitro-1,2,3,6,7,8-hexahydropyrene.
Chemical Property Profile of Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro-
Property Insights of Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro-
The XLogP value of 4.7 indicates that Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro- has 0 hydrogen bond donor(s) and 2 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 Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro-?
The CAS number of Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro- is 88535-47-1.
What is the molecular formula of Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro-?
The molecular formula of Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro- is C16H15NO2.
What is the molecular weight of Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro-?
The molecular weight of Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro- is 253.11 g/mol.
Where can I buy Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro-?
You can request a quote for Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrene, 1,2,3,6,7,8-hexahydro-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.