Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro-
TL;DR: Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro- (CAS 144561-63-7) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-5,6,8,9,10,11-hexahydrobenzo[a]anthracene
Also Known As: Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro-, 3-Nitro-5,6,8,9,10,11-hexahydrobenz(a)anthracene, 3-Nitro-5,6,8,9,10,11-hexahydrobenz[a]anthracene, 3-NITRO-5,6,8,9,10,11-HEXAHYDROTETRAPHENE, 3-nitro-5,6,8,9,10,11-hexahydrobenzo[a]anthracene
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 144561-63-7 |
|---|---|
| SMILES | C1CCC2=CC3=C(CCC4=C3C=CC(=C4)[N+](=O)[O-])C=C2C1 |
| InChIKey | LKEKTACFZAUXQJ-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro- (CAS 144561-63-7), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: 3-nitro-5,6,8,9,10,11-hexahydrobenzo[a]anthracene.
Chemical Property Profile of Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro-
Property Insights of Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro-
The XLogP value of 5.0 indicates that Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-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, Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-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 Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro-?
The CAS number of Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro- is 144561-63-7.
What is the molecular formula of Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro-?
The molecular formula of Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro- is C18H17NO2.
What is the molecular weight of Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro-?
The molecular weight of Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro- is 279.13 g/mol.
Where can I buy Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro-?
You can request a quote for Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene, 5,6,8,9,10,11-hexahydro-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.