RefChem:869036
TL;DR: RefChem:869036 (CAS 13377-98-5) is a chemical compound with molecular formula C18H19N5O4 and molecular weight 369.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-hydroxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylanilino]propanenitrile
Also Known As: Propanenitrile, 3-[(2-hydroxyethyl)[4-[(2-hydroxy-4-nitrophenyl)azo]-3-methylphenyl]amino]-, 4-(2-Hydroxy-4-nitrophenylazo)-3-methyl-N-(beta-cyanoethyl)-N-(beta-hydroxyethyl)aniline, Propanenitrile, 3-((2-hydroxyethyl)(4-((2-hydroxy-4-nitrophenyl)azo)-3-methylphenyl)amino)-, Propanenitrile, 3-((2-hydroxyethyl)(4-(2-(2-hydroxy-4-nitrophenyl)diazenyl)-3-methylphenyl)amino)-, 3-[N-(2-hydroxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylanilino]propanenitrile
| Molecular Formula | C18H19N5O4 |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.1437 |
| Heavy Atoms | 27 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 13377-98-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCC#N)CCO)N=NC2=C(C=C(C=C2)[N+](=O)[O-])O |
| InChIKey | AOMPWZIIJWGZLI-UHFFFAOYSA-N |
Product Overview
RefChem:869036 (CAS 13377-98-5), with molecular formula C18H19N5O4 and molecular weight 369.14 g/mol. IUPAC: 3-[N-(2-hydroxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylanilino]propanenitrile.
Chemical Property Profile of RefChem:869036
Property Insights of RefChem:869036
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:869036. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869036. Following Lipinski's Rule of Five, RefChem:869036 has 2 hydrogen bond donor(s) and 8 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:869036?
The CAS number of RefChem:869036 is 13377-98-5.
What is the molecular formula of RefChem:869036?
The molecular formula of RefChem:869036 is C18H19N5O4.
What is the molecular weight of RefChem:869036?
The molecular weight of RefChem:869036 is 369.14 g/mol.
Where can I buy RefChem:869036?
You can request a quote for RefChem:869036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869036?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.