RefChem:368591
TL;DR: RefChem:368591 (CAS 3690-87-7) is a chemical compound with molecular formula C29H28ClN7O2 and molecular weight 541.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;4-[2-[4-(8-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]iminohydrazinyl]benzenecarboximidamide;chloride
Also Known As: Phenanthridinium, 8-amino-6-(4-(3-(4-(aminoiminomethyl)phenyl)-1-triazenyl)phenyl)-5-methyl-, chloride, acetate, acetic acid;4-[2-[4-(8-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]iminohydrazinyl]benzenecarboximidamide;chloride, 8-amino-6-{4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]phenyl}-5-methylphenanthridinium chloride - acetic acid (1:1:1), acetic acid; 4-[2-[4-(8-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]iminohydrazinyl]benzenecarboximidamide; chloride, RefChem:368591
| Molecular Formula | C29H28ClN7O2 |
|---|---|
| Molecular Weight | 541.20 g/mol |
| LogP | 2.55647 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.1993 |
| Heavy Atoms | 39 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 3690-87-7 |
|---|---|
| SMILES | CC(=O)O.C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C4=CC=C(C=C4)N=NNC5=CC=C(C=C5)C(=N)N.[Cl-] |
| InChIKey | FXWFNWSQNIRYFK-UHFFFAOYSA-N |
Product Overview
RefChem:368591 (CAS 3690-87-7), with molecular formula C29H28ClN7O2 and molecular weight 541.20 g/mol. IUPAC: acetic acid;4-[2-[4-(8-amino-5-methylphenanthridin-5-ium-6-yl)phenyl]iminohydrazinyl]benzenecarboximidamide;chloride.
Chemical Property Profile of RefChem:368591
Property Insights of RefChem:368591
The XLogP value of 2.55647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:368591. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:368591 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:368591 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:368591?
The CAS number of RefChem:368591 is 3690-87-7.
What is the molecular formula of RefChem:368591?
The molecular formula of RefChem:368591 is C29H28ClN7O2.
What is the molecular weight of RefChem:368591?
The molecular weight of RefChem:368591 is 541.20 g/mol.
Where can I buy RefChem:368591?
You can request a quote for RefChem:368591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:368591?
Yes, KEHONG BIO provides custom synthesis services for RefChem:368591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.