RefChem:505132
TL;DR: RefChem:505132 (CAS 68877-62-3) is a chemical compound with molecular formula C21H23ClN8O4 and molecular weight 486.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-6-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile
Also Known As: 3-Pyridinecarbonitrile, 2-amino-5-[(2-chloro-6-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-, 2-AMINO-5-[(2-CHLORO-6-CYANO-4-NITROPHENYL)AZO]-6-[[3-(4-HYDROXYBUTOXY)PROPYL]AMINO]-4-METHYLNICOTINONITRILE, 2-amino-5-[(e)-(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-6-{[3-(4-hydroxybutoxy)propyl]amino}-4-methylpyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 2-amino-5-((2-chloro-6-cyano-4-nitrophenyl)azo)-6-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-, 3-Pyridinecarbonitrile, 2-amino-5-(2-(2-chloro-6-cyano-4-nitrophenyl)diazenyl)-6-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-
| Molecular Formula | C21H23ClN8O4 |
|---|---|
| Molecular Weight | 486.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 486.15308 |
| Heavy Atoms | 34 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 68877-62-3 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])C#N)NCCCOCCCCO)N)C#N |
| InChIKey | XESUQLJISQTRDH-UHFFFAOYSA-N |
Product Overview
RefChem:505132 (CAS 68877-62-3), with molecular formula C21H23ClN8O4 and molecular weight 486.15 g/mol. IUPAC: 2-amino-5-[(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-6-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile.
Chemical Property Profile of RefChem:505132
Property Insights of RefChem:505132
The XLogP value of 3.6 indicates that RefChem:505132 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting RefChem:505132 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:505132 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505132?
The CAS number of RefChem:505132 is 68877-62-3.
What is the molecular formula of RefChem:505132?
The molecular formula of RefChem:505132 is C21H23ClN8O4.
What is the molecular weight of RefChem:505132?
The molecular weight of RefChem:505132 is 486.15 g/mol.
Where can I buy RefChem:505132?
You can request a quote for RefChem:505132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505132?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.