![(6-Nitrobenzo[a]pyren-7-yl) acetate structure](/static/products/1190/119087-37-5.webp)
(6-Nitrobenzo[a]pyren-7-yl) acetate
TL;DR: (6-Nitrobenzo[a]pyren-7-yl) acetate (CAS 119087-37-5) is a chemical compound with molecular formula C22H13NO4 and molecular weight 355.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-nitrobenzo[a]pyren-7-yl) acetate
Also Known As: 7-nitrotetraphen-11-ol, (6-nitrobenzo[a]pyren-7-yl) acetate, 6-Nitrobenzo(a)pyren-7-ol acetate (ester), NIOSH/DJ8297900, 7-Acetoxy-6-nitrobenzo(a)pyrene
| Molecular Formula | C22H13NO4 |
|---|---|
| Molecular Weight | 355.08 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.08447 |
| Heavy Atoms | 27 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 119087-37-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=C3C=CC4=C5C3=C(C=CC5=CC=C4)C(=C21)[N+](=O)[O-] |
| InChIKey | OLSYDJUQRUQUFT-UHFFFAOYSA-N |
Product Overview
(6-Nitrobenzo[a]pyren-7-yl) acetate (CAS 119087-37-5), with molecular formula C22H13NO4 and molecular weight 355.08 g/mol. IUPAC: (6-nitrobenzo[a]pyren-7-yl) acetate.
Chemical Property Profile of (6-Nitrobenzo[a]pyren-7-yl) acetate
Property Insights of (6-Nitrobenzo[a]pyren-7-yl) acetate
The XLogP value of 5.9 indicates that (6-Nitrobenzo[a]pyren-7-yl) acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Nitrobenzo[a]pyren-7-yl) acetate. Following Lipinski's Rule of Five, (6-Nitrobenzo[a]pyren-7-yl) acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6-Nitrobenzo[a]pyren-7-yl) acetate?
The CAS number of (6-Nitrobenzo[a]pyren-7-yl) acetate is 119087-37-5.
What is the molecular formula of (6-Nitrobenzo[a]pyren-7-yl) acetate?
The molecular formula of (6-Nitrobenzo[a]pyren-7-yl) acetate is C22H13NO4.
What is the molecular weight of (6-Nitrobenzo[a]pyren-7-yl) acetate?
The molecular weight of (6-Nitrobenzo[a]pyren-7-yl) acetate is 355.08 g/mol.
Where can I buy (6-Nitrobenzo[a]pyren-7-yl) acetate?
You can request a quote for (6-Nitrobenzo[a]pyren-7-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Nitrobenzo[a]pyren-7-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-Nitrobenzo[a]pyren-7-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.