3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide
TL;DR: 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide (CAS 67987-17-1) is a chemical compound with molecular formula C23H23BrN4O and molecular weight 450.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)-N-ethylbenzamide bromide
Also Known As: Ita 213, SR 2183, 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide, Phenanthridinium, 3,8-diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methyl-, bromide, 3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)-N-ethylbenzamide bromide
| Molecular Formula | C23H23BrN4O |
|---|---|
| Molecular Weight | 450.11 g/mol |
| LogP | 0.4026 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.10553 |
| Heavy Atoms | 29 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 67987-17-1 |
|---|---|
| SMILES | CCNC(=O)C1=CC=CC(=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2C)N)N.[Br-] |
| InChIKey | OZTLMWWDPNEIFK-UHFFFAOYSA-N |
Product Overview
3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide (CAS 67987-17-1), with molecular formula C23H23BrN4O and molecular weight 450.11 g/mol. IUPAC: 3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)-N-ethylbenzamide bromide.
Chemical Property Profile of 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide
Property Insights of 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide
The XLogP value of 0.4026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide. Following Lipinski's Rule of Five, 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide has 3 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 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide?
The CAS number of 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide is 67987-17-1.
What is the molecular formula of 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide?
The molecular formula of 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide is C23H23BrN4O.
What is the molecular weight of 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide?
The molecular weight of 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide is 450.11 g/mol.
Where can I buy 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide?
You can request a quote for 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diamino-6-(3-((ethylamino)carbonyl)phenyl)-5-methylphenanthridinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.