7-Nitrodibenz(a,h)anthracene
TL;DR: 7-Nitrodibenz(a,h)anthracene (CAS 63041-91-8) is a chemical compound with molecular formula C22H13NO2 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-nitronaphtho[1,2-b]phenanthrene
Also Known As: Dibenz(a,h)anthracene, 7-nitro-, 7-Nitrobenz[A,H]anthracene, 14-nitronaphtho[1,2-b]phenanthrene, 7-nitrobenzo[k]tetraphene, 7-nitrodibenz(a,h)anthracene
| Molecular Formula | C22H13NO2 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 323.09464 |
| Heavy Atoms | 25 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 63041-91-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=CC=CC=C5C4=C3[N+](=O)[O-] |
| InChIKey | ZZMDJBHMGFRFEK-UHFFFAOYSA-N |
Product Overview
7-Nitrodibenz(a,h)anthracene (CAS 63041-91-8), with molecular formula C22H13NO2 and molecular weight 323.09 g/mol. IUPAC: 14-nitronaphtho[1,2-b]phenanthrene.
Chemical Property Profile of 7-Nitrodibenz(a,h)anthracene
Property Insights of 7-Nitrodibenz(a,h)anthracene
The XLogP value of 7.3 indicates that 7-Nitrodibenz(a,h)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 7-Nitrodibenz(a,h)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Nitrodibenz(a,h)anthracene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Nitrodibenz(a,h)anthracene?
The CAS number of 7-Nitrodibenz(a,h)anthracene is 63041-91-8.
What is the molecular formula of 7-Nitrodibenz(a,h)anthracene?
The molecular formula of 7-Nitrodibenz(a,h)anthracene is C22H13NO2.
What is the molecular weight of 7-Nitrodibenz(a,h)anthracene?
The molecular weight of 7-Nitrodibenz(a,h)anthracene is 323.09 g/mol.
Where can I buy 7-Nitrodibenz(a,h)anthracene?
You can request a quote for 7-Nitrodibenz(a,h)anthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitrodibenz(a,h)anthracene?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitrodibenz(a,h)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.