J1.587.527E
TL;DR: J1.587.527E (CAS 77737-03-2) is a chemical compound with molecular formula C21H24N8O4 and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(2-cyano-4-nitrophenyl)diazenyl]-2-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile
Also Known As: J1.587.527E, 3-Pyridinecarbonitrile, 6-amino-5-[(2-cyano-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-, 3-Pyridinecarbonitrile, 6-amino-5-((2-cyano-4-nitrophenyl)azo)-2-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-, 3-Pyridinecarbonitrile, 6-amino-5-(2-(2-cyano-4-nitrophenyl)diazenyl)-2-((3-(4-hydroxybutoxy)propyl)amino)-4-methyl-, 6-amino-5-[(2-cyano-4-nitrophenyl)diazenyl]-2-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile
| Molecular Formula | C21H24N8O4 |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 452.19205 |
| Heavy Atoms | 33 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 77737-03-2 |
|---|---|
| SMILES | CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)N)NCCCOCCCCO)C#N |
| InChIKey | BRQRMBMTZYKDPB-UHFFFAOYSA-N |
Product Overview
J1.587.527E (CAS 77737-03-2), with molecular formula C21H24N8O4 and molecular weight 452.19 g/mol. IUPAC: 6-amino-5-[(2-cyano-4-nitrophenyl)diazenyl]-2-[3-(4-hydroxybutoxy)propylamino]-4-methylpyridine-3-carbonitrile.
Chemical Property Profile of J1.587.527E
Property Insights of J1.587.527E
The XLogP value of 3.0 indicates that J1.587.527E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting J1.587.527E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.587.527E 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 J1.587.527E?
The CAS number of J1.587.527E is 77737-03-2.
What is the molecular formula of J1.587.527E?
The molecular formula of J1.587.527E is C21H24N8O4.
What is the molecular weight of J1.587.527E?
The molecular weight of J1.587.527E is 452.19 g/mol.
Where can I buy J1.587.527E?
You can request a quote for J1.587.527E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.587.527E?
Yes, KEHONG BIO provides custom synthesis services for J1.587.527E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.