1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene
TL;DR: 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene (CAS 91828-72-7) 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.
(1S,2S)-6-nitro-1,2-dihydrochrysene-1,2-diol
Also Known As: 2-Hydroxycarpipramine, 1,2-DDNCR, 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene, trans-6-Nitrochrysene-1,2-dihydrodiol, trans-1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene
| Molecular Formula | C18H13NO4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.1 |
| 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 | 502.0 |
Chemical Identifiers
| CAS Number | 91828-72-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C=C2[N+](=O)[O-])C4=C(C=C3)[C@@H]([C@H](C=C4)O)O |
| InChIKey | LZFRXTYVXJWZHG-ROUUACIJSA-N |
Product Overview
1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene (CAS 91828-72-7), with molecular formula C18H13NO4 and molecular weight 307.08 g/mol. IUPAC: (1S,2S)-6-nitro-1,2-dihydrochrysene-1,2-diol.
Chemical Property Profile of 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene
Property Insights of 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene
The XLogP value of 3.1 indicates that 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene. Following Lipinski's Rule of Five, 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene 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 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene?
The CAS number of 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene is 91828-72-7.
What is the molecular formula of 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene?
The molecular formula of 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene is C18H13NO4.
What is the molecular weight of 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene?
The molecular weight of 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene is 307.08 g/mol.
Where can I buy 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene?
You can request a quote for 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-1,2-dihydroxy-6-nitrochrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.