靛玉红-3'-单肟
TL;DR: 靛玉红-3'-单肟 (CAS 160807-49-8) is a chemical compound with molecular formula C16H11N3O2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
靛玉红-3'-单肟
3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
Also Known As: INDIRUBIN-3'-MONOXIME, indirubin-3'-oxime, Indirubin-3-monoxime, indirubin-3-oxime, Indirubin-3monoxime
| Molecular Formula | C16H11N3O2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.0851 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 160807-49-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)O)C3=C(C4=CC=CC=C4N3)N=O |
| InChIKey | FQCPPVRJPILDIK-UHFFFAOYSA-N |
Product Overview
靛玉红-3'-单肟 (CAS 160807-49-8), with molecular formula C16H11N3O2 and molecular weight 277.09 g/mol. IUPAC: 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol.
Chemical Property Profile of 靛玉红-3'-单肟
Property Insights of 靛玉红-3'-单肟
The XLogP value of 3.2 indicates that 靛玉红-3'-单肟 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 靛玉红-3'-单肟. Following Lipinski's Rule of Five, 靛玉红-3'-单肟 has 3 hydrogen bond donor(s) and 3 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 靛玉红-3'-单肟?
The CAS number of 靛玉红-3'-单肟 is 160807-49-8.
What is the molecular formula of 靛玉红-3'-单肟?
The molecular formula of 靛玉红-3'-单肟 is C16H11N3O2.
What is the molecular weight of 靛玉红-3'-单肟?
The molecular weight of 靛玉红-3'-单肟 is 277.09 g/mol.
Where can I buy 靛玉红-3'-单肟?
You can request a quote for 靛玉红-3'-单肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 靛玉红-3'-单肟?
Yes, KEHONG BIO provides custom synthesis services for 靛玉红-3'-单肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.