Nitrotyrasanguinarine
TL;DR: Nitrotyrasanguinarine (CAS 123787-75-7) is a chemical compound with molecular formula C28H22N2O7 and molecular weight 498.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)-2-nitroethyl]phenol
Also Known As: Nitrotyrasanguinarine, 4-[2-(13-Methyl-13,14-dihydro-2H,10H-[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)-2-nitroethyl]phenol
| Molecular Formula | C28H22N2O7 |
|---|---|
| Molecular Weight | 498.14 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.1427 |
| Heavy Atoms | 37 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 123787-75-7 |
|---|---|
| SMILES | CN1C(C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)C(CC7=CC=C(C=C7)O)[N+](=O)[O-] |
| InChIKey | RKBDQFXCPXWLKG-UHFFFAOYSA-N |
Product Overview
Nitrotyrasanguinarine (CAS 123787-75-7), with molecular formula C28H22N2O7 and molecular weight 498.14 g/mol. IUPAC: 4-[2-(24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-yl)-2-nitroethyl]phenol.
Chemical Property Profile of Nitrotyrasanguinarine
Property Insights of Nitrotyrasanguinarine
The XLogP value of 5.6 indicates that Nitrotyrasanguinarine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrotyrasanguinarine. Following Lipinski's Rule of Five, Nitrotyrasanguinarine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nitrotyrasanguinarine?
The CAS number of Nitrotyrasanguinarine is 123787-75-7.
What is the molecular formula of Nitrotyrasanguinarine?
The molecular formula of Nitrotyrasanguinarine is C28H22N2O7.
What is the molecular weight of Nitrotyrasanguinarine?
The molecular weight of Nitrotyrasanguinarine is 498.14 g/mol.
Where can I buy Nitrotyrasanguinarine?
You can request a quote for Nitrotyrasanguinarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrotyrasanguinarine?
Yes, KEHONG BIO provides custom synthesis services for Nitrotyrasanguinarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.