RefChem:368588
TL;DR: RefChem:368588 (CAS 4174-66-7) is a chemical compound with molecular formula C27H25Br2N7 and molecular weight 605.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3-amino-5-methyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;bromide;hydrobromide
Also Known As: M & B 4415, Phenanthridinium, 8-(3-(m-amidinophenyl)-2-triazeno)-3-amino-5-methyl-6-phenyl-, bromide, hydrobromide, 3-[2-(3-amino-5-methyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide bromide hydrobromide, 3-Amino-8-[3-(3-carbamimidoylphenyl)triaz-2-en-1-yl]-5-methyl-6-phenylphenanthridin-5-ium bromide--hydrogen bromide (1/1/1)
| Molecular Formula | C27H25Br2N7 |
|---|---|
| Molecular Weight | 605.05 g/mol |
| LogP | 3.04347 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 605.05383 |
| Heavy Atoms | 36 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 4174-66-7 |
|---|---|
| SMILES | C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N.Br.[Br-] |
| InChIKey | LFZCNUUCNXFXDP-UHFFFAOYSA-N |
Product Overview
RefChem:368588 (CAS 4174-66-7), with molecular formula C27H25Br2N7 and molecular weight 605.05 g/mol. IUPAC: 3-[2-(3-amino-5-methyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide;bromide;hydrobromide.
Chemical Property Profile of RefChem:368588
Property Insights of RefChem:368588
The XLogP value of 3.04347 indicates that RefChem:368588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:368588. Following Lipinski's Rule of Five, RefChem:368588 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:368588?
The CAS number of RefChem:368588 is 4174-66-7.
What is the molecular formula of RefChem:368588?
The molecular formula of RefChem:368588 is C27H25Br2N7.
What is the molecular weight of RefChem:368588?
The molecular weight of RefChem:368588 is 605.05 g/mol.
Where can I buy RefChem:368588?
You can request a quote for RefChem:368588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:368588?
Yes, KEHONG BIO provides custom synthesis services for RefChem:368588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.