6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
TL;DR: 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS 97931-40-3) is a chemical compound with molecular formula C20H15NO3 and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
Also Known As: 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene, 6-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol, 6-Nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-ol, 6-NITRO-7-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE, BENZO(A)PYREN-7-OL, 7,8,9,10-TETRAHYDRO-6-NITRO-
| Molecular Formula | C20H15NO3 |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 317.1052 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 97931-40-3 |
|---|---|
| SMILES | C1CC(C2=C(C3=C4C(=C2C1)C=CC5=C4C(=CC=C5)C=C3)[N+](=O)[O-])O |
| InChIKey | FBNQVDBEPCPMLA-UHFFFAOYSA-N |
Product Overview
6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene (CAS 97931-40-3), with molecular formula C20H15NO3 and molecular weight 317.11 g/mol. IUPAC: 6-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol.
Chemical Property Profile of 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
Property Insights of 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
The XLogP value of 4.8 indicates that 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene. Following Lipinski's Rule of Five, 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene has 1 hydrogen bond donor(s) and 3 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 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene?
The CAS number of 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene is 97931-40-3.
What is the molecular formula of 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene?
The molecular formula of 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene is C20H15NO3.
What is the molecular weight of 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene?
The molecular weight of 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene is 317.11 g/mol.
Where can I buy 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene?
You can request a quote for 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-7-hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.