3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene
TL;DR: 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene (CAS 97509-27-8) 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)-10-nitro-1,2-dihydroanthracene-1,2-diol
Also Known As: 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene, 3,4-DNDA, 9-Nitroanthracene-trans-3,4-dihydrodiol, (1R,2R)-10-nitro-1,2-dihydroanthracene-1,2-diol, 10-nitro-1,2-dihydroanthracene-1,2-diol
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 97509-27-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3[C@H]([C@@H](C=CC3=C2[N+](=O)[O-])O)O |
| InChIKey | VNOVNHOBHYKYND-TZMCWYRMSA-N |
Product Overview
3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene (CAS 97509-27-8), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: (1R,2R)-10-nitro-1,2-dihydroanthracene-1,2-diol.
Chemical Property Profile of 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene
Property Insights of 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene. Following Lipinski's Rule of Five, 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene 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 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene?
The CAS number of 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene is 97509-27-8.
What is the molecular formula of 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene?
The molecular formula of 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene is C14H11NO4.
What is the molecular weight of 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene?
The molecular weight of 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene is 257.07 g/mol.
Where can I buy 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene?
You can request a quote for 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroxy-9-nitro-3,4-dihydroanthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.