Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt
TL;DR: Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt (CAS 73033-90-6) is a chemical compound with molecular formula C22H19N3O2 and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(8-amino-5-ethyl-3-iminophenanthridin-6-yl)benzoic acid
Also Known As: Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt, 4-(8-amino-5-ethyl-3-iminophenanthridin-6-yl)benzoic acid, 4-(8-Amino-5-ethyl-3-imino-3,5-dihydrophenanthridin-6-yl)benzoic acid
| Molecular Formula | C22H19N3O2 |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.14774 |
| Heavy Atoms | 27 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 73033-90-6 |
|---|---|
| SMILES | CCN1C2=CC(=N)C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)C(=O)O)N |
| InChIKey | NUMVRVIFXCZPKZ-UHFFFAOYSA-N |
Product Overview
Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt (CAS 73033-90-6), with molecular formula C22H19N3O2 and molecular weight 357.15 g/mol. IUPAC: 4-(8-amino-5-ethyl-3-iminophenanthridin-6-yl)benzoic acid.
Chemical Property Profile of Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt
Property Insights of Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt. Following Lipinski's Rule of Five, Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt has 3 hydrogen bond donor(s) and 5 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 Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt?
The CAS number of Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt is 73033-90-6.
What is the molecular formula of Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt?
The molecular formula of Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt is C22H19N3O2.
What is the molecular weight of Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt?
The molecular weight of Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt is 357.15 g/mol.
Where can I buy Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt?
You can request a quote for Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Phenanthridinium, 3,8-diamino-6-(4-carboxyphenyl)-5-ethyl-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.