3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium
TL;DR: 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium (CAS 78046-14-7) is a chemical compound with molecular formula C27H28N3O4+ and molecular weight 458.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-(ethoxycarbonylamino)-5-ethyl-6-phenylphenanthridin-5-ium-8-yl]carbamate
Also Known As: 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium, 3,8-bis[(ethoxycarbonyl)amino]-5-ethyl-6-phenylphenanthridinium, ethyl N-[3-(ethoxycarbonylamino)-5-ethyl-6-phenylphenanthridin-5-ium-8-yl]carbamate, Phenanthridinium, 3,8-bis((ethoxycarbonyl)amino)-5-ethyl-6-phenyl-, ETHYL N-[8-(ETHOXYCARBONYLAMINO)-5-ETHYL-6-PHENYL-PHENANTHRIDIN-3-YL]CARBAMATE
| Molecular Formula | C27H28N3O4+ |
|---|---|
| Molecular Weight | 458.21 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.20798 |
| Heavy Atoms | 34 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 78046-14-7 |
|---|---|
| SMILES | CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)OCC)NC(=O)OCC |
| InChIKey | VUYUXGPMBQPUMU-UHFFFAOYSA-O |
Product Overview
3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium (CAS 78046-14-7), with molecular formula C27H28N3O4+ and molecular weight 458.21 g/mol. IUPAC: ethyl N-[3-(ethoxycarbonylamino)-5-ethyl-6-phenylphenanthridin-5-ium-8-yl]carbamate.
Chemical Property Profile of 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium
Property Insights of 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium
The XLogP value of 5.4 indicates that 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium. Following Lipinski's Rule of Five, 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium?
The CAS number of 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium is 78046-14-7.
What is the molecular formula of 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium?
The molecular formula of 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium is C27H28N3O4+.
What is the molecular weight of 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium?
The molecular weight of 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium is 458.21 g/mol.
Where can I buy 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium?
You can request a quote for 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Bis((ethoxycarbonyl)amino)-5-ethyl-6-phenylphenanthridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.