(1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol
TL;DR: (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol (CAS 105822-91-1) is a chemical compound with molecular formula C19H15NO4 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol
Also Known As: 1,2-Dihydro-5-methyl-6-nitro-1,2-chrysenediol trans-, 5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol, (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol, 1,2-Chrysenediol, 1,2-dihydro-5-methyl-6-nitro-, trans-
| Molecular Formula | C19H15NO4 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.1001 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 105822-91-1 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C3=C1C4=C(C=C3)[C@H]([C@@H](C=C4)O)O)[N+](=O)[O-] |
| InChIKey | KROBPMACIQRBPC-VQIMIIECSA-N |
Product Overview
(1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol (CAS 105822-91-1), with molecular formula C19H15NO4 and molecular weight 321.10 g/mol. IUPAC: (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol.
Chemical Property Profile of (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol
Property Insights of (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol
The XLogP value of 3.5 indicates that (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol 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 (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol. Following Lipinski's Rule of Five, (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol 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 (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol?
The CAS number of (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol is 105822-91-1.
What is the molecular formula of (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol?
The molecular formula of (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol is C19H15NO4.
What is the molecular weight of (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol?
The molecular weight of (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol is 321.10 g/mol.
Where can I buy (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol?
You can request a quote for (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for (1R,2R)-5-methyl-6-nitro-1,2-dihydrochrysene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.