2-Nitroanthracene trans-5,6-dihydrodiol
TL;DR: 2-Nitroanthracene trans-5,6-dihydrodiol (CAS 109897-79-2) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R)-6-nitro-1,2-dihydroanthracene-1,2-diol
Also Known As: 2-Nitroanthracene trans-5,6-dihydrodiol, trans-5,6-Dihydroxy-2-nitro-5,6-dihydroanthracene, (1R,2R)-6-nitro-1,2-dihydroanthracene-1,2-diol, 1,2-Anthracenediol, 1,2-dihydro-6-nitro-, trans-, 1,2-Dihydro-6-nitro-1,2-anthracenediol, trans-
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 2.1691 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 707.9033 |
Chemical Identifiers
| CAS Number | 109897-79-2 |
|---|---|
| SMILES | C1=CC2=C(C=C3C=CC(=CC3=C2)[N+](=O)[O-])[C@H]([C@@H]1O)O |
Product Overview
2-Nitroanthracene trans-5,6-dihydrodiol (CAS 109897-79-2), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (1R,2R)-6-nitro-1,2-dihydroanthracene-1,2-diol.
Chemical Property Profile of 2-Nitroanthracene trans-5,6-dihydrodiol
Property Insights of 2-Nitroanthracene trans-5,6-dihydrodiol
The XLogP value of 2.1691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitroanthracene trans-5,6-dihydrodiol. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitroanthracene trans-5,6-dihydrodiol. Following Lipinski's Rule of Five, 2-Nitroanthracene trans-5,6-dihydrodiol 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 2-Nitroanthracene trans-5,6-dihydrodiol?
The CAS number of 2-Nitroanthracene trans-5,6-dihydrodiol is 109897-79-2.
What is the molecular formula of 2-Nitroanthracene trans-5,6-dihydrodiol?
The molecular formula of 2-Nitroanthracene trans-5,6-dihydrodiol is C14H11NO4.
What is the molecular weight of 2-Nitroanthracene trans-5,6-dihydrodiol?
The molecular weight of 2-Nitroanthracene trans-5,6-dihydrodiol is 257.07 g/mol.
Where can I buy 2-Nitroanthracene trans-5,6-dihydrodiol?
You can request a quote for 2-Nitroanthracene trans-5,6-dihydrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitroanthracene trans-5,6-dihydrodiol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitroanthracene trans-5,6-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.