12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene
TL;DR: 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene (CAS 134998-75-7) is a chemical compound with molecular formula C18H15NO2 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-nitro-1,2,3,4-tetrahydrobenzo[a]anthracene
Also Known As: 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene, 12-Nitro-1,2,3,4-tetrahydrotetraphene, 12-nitro-1,2,3,4-tetrahydrobenzo[a]anthracene
| Molecular Formula | C18H15NO2 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.1103 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 134998-75-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC3=CC4=CC=CC=C4C(=C23)[N+](=O)[O-] |
| InChIKey | MSEPDSUCZXLZAV-UHFFFAOYSA-N |
Product Overview
12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene (CAS 134998-75-7), with molecular formula C18H15NO2 and molecular weight 277.11 g/mol. IUPAC: 12-nitro-1,2,3,4-tetrahydrobenzo[a]anthracene.
Chemical Property Profile of 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene
Property Insights of 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene
The XLogP value of 5.4 indicates that 12-Nitro-1,2,3,4-tetrahydrobenz(a)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, 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Nitro-1,2,3,4-tetrahydrobenz(a)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 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene?
The CAS number of 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene is 134998-75-7.
What is the molecular formula of 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene?
The molecular formula of 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene is C18H15NO2.
What is the molecular weight of 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene?
The molecular weight of 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene is 277.11 g/mol.
Where can I buy 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene?
You can request a quote for 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene?
Yes, KEHONG BIO provides custom synthesis services for 12-Nitro-1,2,3,4-tetrahydrobenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.