Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-
TL;DR: Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis- (CAS 119056-56-3) is a chemical compound with molecular formula C22H17NO6 and molecular weight 391.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S,6R)-6-acetyloxy-7-nitro-5,6-dihydrobenzo[a]anthracen-5-yl] acetate
Also Known As: Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-, 5,6-Dihydro-7-nitrobenz(a)anthracene-5,6-diol diacetate (ester), cis-, (5S,6R)-7-Nitro-5,6-dihydrotetraphene-5,6-diyl diacetate, [(5S,6R)-6-acetyloxy-7-nitro-5,6-dihydrobenzo[a]anthracen-5-yl] acetate
| Molecular Formula | C22H17NO6 |
|---|---|
| Molecular Weight | 391.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1056 |
| Heavy Atoms | 29 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 119056-56-3 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H](C2=C(C3=CC=CC=C3C=C2C4=CC=CC=C14)[N+](=O)[O-])OC(=O)C |
| InChIKey | SDWDPAIRPZAXMG-FCHUYYIVSA-N |
Product Overview
Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis- (CAS 119056-56-3), with molecular formula C22H17NO6 and molecular weight 391.11 g/mol. IUPAC: [(5S,6R)-6-acetyloxy-7-nitro-5,6-dihydrobenzo[a]anthracen-5-yl] acetate.
Chemical Property Profile of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-
Property Insights of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-
The XLogP value of 3.8 indicates that Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-. Following Lipinski's Rule of Five, Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis- has 0 hydrogen bond donor(s) and 6 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-, diacetate (ester), cis-?
The CAS number of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis- is 119056-56-3.
What is the molecular formula of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-?
The molecular formula of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis- is C22H17NO6.
What is the molecular weight of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-?
The molecular weight of Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis- is 391.11 g/mol.
Where can I buy Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis-?
You can request a quote for Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), 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-, diacetate (ester), cis-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-nitro-, diacetate (ester), cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.