RefChem:505162
TL;DR: RefChem:505162 (CAS 72939-67-4) is a chemical compound with molecular formula C20H24ClN7O4 and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(2-chloro-4-nitrophenyl)diazenyl]-2-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile
Also Known As: 3-Pyridinecarbonitrile, 6-amino-5-[(2-chloro-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-, 3-Pyridinecarbonitrile, 6-amino-5-((2-chloro-4-nitrophenyl)azo)-2-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-, 3-Pyridinecarbonitrile, 6-amino-5-(2-(2-chloro-4-nitrophenyl)diazenyl)-2-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-, 6-AMINO-5-[(2-CHLORO-4-NITROPHENYL)AZO]-2-[[3-(4-HYDROXYBUTOXY)PROPYL]AMINO]-4-METHYLNICOTINONITRILE, 3-Pyridinecarbonitrile, 6-amino-5-[2-(2-chloro-4-nitrophenyl)diazenyl]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-
| Molecular Formula | C20H24ClN7O4 |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 461.15784 |
| Heavy Atoms | 32 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 72939-67-4 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N)NCCCOCCCCO)C#N |
| InChIKey | VFCJEFOSAGTGOU-UHFFFAOYSA-N |
Product Overview
RefChem:505162 (CAS 72939-67-4), with molecular formula C20H24ClN7O4 and molecular weight 461.16 g/mol. IUPAC: 6-amino-5-[(2-chloro-4-nitrophenyl)diazenyl]-2-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile.
Chemical Property Profile of RefChem:505162
Property Insights of RefChem:505162
The XLogP value of 3.9 indicates that RefChem:505162 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.0 Ų indicates high polarity, suggesting RefChem:505162 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:505162 has 3 hydrogen bond donor(s) and 10 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 RefChem:505162?
The CAS number of RefChem:505162 is 72939-67-4.
What is the molecular formula of RefChem:505162?
The molecular formula of RefChem:505162 is C20H24ClN7O4.
What is the molecular weight of RefChem:505162?
The molecular weight of RefChem:505162 is 461.16 g/mol.
Where can I buy RefChem:505162?
You can request a quote for RefChem:505162 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505162?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505162 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.