3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide
TL;DR: 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide (CAS 79053-79-5) is a chemical compound with molecular formula C21H20BrN3O and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methoxyphenyl)-5-methylphenanthridin-5-ium-3,8-diamine bromide
Also Known As: 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide, Phenanthridinium, 3,8-diamino-6-(3-methoxyphenyl)-5-methyl-, bromide, 6-(3-methoxyphenyl)-5-methylphenanthridin-5-ium-3,8-diamine bromide
| Molecular Formula | C21H20BrN3O |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 0.6615 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.07898 |
| Heavy Atoms | 26 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 79053-79-5 |
|---|---|
| SMILES | C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC=C4)OC)N)N.[Br-] |
| InChIKey | VMHGXXFJOGUVCY-UHFFFAOYSA-N |
Product Overview
3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide (CAS 79053-79-5), with molecular formula C21H20BrN3O and molecular weight 409.08 g/mol. IUPAC: 6-(3-methoxyphenyl)-5-methylphenanthridin-5-ium-3,8-diamine bromide.
Chemical Property Profile of 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide
Property Insights of 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide
The XLogP value of 0.6615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide. Following Lipinski's Rule of Five, 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide has 2 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-methoxyphenyl)-5-methylphenanthridinium bromide?
The CAS number of 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide is 79053-79-5.
What is the molecular formula of 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide?
The molecular formula of 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide is C21H20BrN3O.
What is the molecular weight of 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide?
The molecular weight of 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide is 409.08 g/mol.
Where can I buy 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide?
You can request a quote for 3,8-Diamino-6-(3-methoxyphenyl)-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-methoxyphenyl)-5-methylphenanthridinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diamino-6-(3-methoxyphenyl)-5-methylphenanthridinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.