Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-
TL;DR: Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis- (CAS 119056-55-2) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-7-nitro-5,6-dihydrobenzo[a]anthracene-5,6-diol
Also Known As: 5,6-Dihydro-7-nitrobenz(a)anthracene-5,6-diol cis-, 7-Nitro-5,6-dihydrotetraphene-5,6-diol, Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-, (5S,6R)-7-nitro-5,6-dihydrotetraphene-5,6-diol, (5S,6R)-7-nitro-5,6-dihydrobenzo[a]anthracene-5,6-diol
| Molecular Formula | C18H13NO4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 307.08447 |
| Heavy Atoms | 23 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 119056-55-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C4=CC=CC=C4[C@@H]([C@@H](C3=C2[N+](=O)[O-])O)O |
| InChIKey | IZWSVQWHIHCZNY-ZWKOTPCHSA-N |
Product Overview
Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis- (CAS 119056-55-2), with molecular formula C18H13NO4 and molecular weight 307.08 g/mol. IUPAC: (5S,6R)-7-nitro-5,6-dihydrobenzo[a]anthracene-5,6-diol.
Chemical Property Profile of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-
Property Insights of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-. Following Lipinski's Rule of Five, Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis- has 2 hydrogen bond donor(s) and 4 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-diol, 5,6-dihydro-7-nitro-, cis-?
The CAS number of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis- is 119056-55-2.
What is the molecular formula of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-?
The molecular formula of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis- is C18H13NO4.
What is the molecular weight of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-?
The molecular weight of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis- is 307.08 g/mol.
Where can I buy Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis-?
You can request a quote for Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis- 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-diol, 5,6-dihydro-7-nitro-, cis-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.