RefChem:1064452
TL;DR: RefChem:1064452 (CAS 107761-26-2) is a chemical compound with molecular formula C19H17N3O5S and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(4-nitrophenyl)sulfanylmethyl]phenyl]prop-2-enamide
Also Known As: 2-Cyano-3-(3-ethoxy-4-hydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)-2-propenamide, 2-Propenamide, 2-cyano-3-(3-ethoxy-4-hydroxy-5-(((4-nitrophenyl)thio)methyl)phenyl)-, (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(4-nitrophenyl)sulfanylmethyl]phenyl]prop-2-enamide, RefChem:1064452
| Molecular Formula | C19H17N3O5S |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 3.38368 |
| Topological Polar Surface Area | 139.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.0889 |
| Heavy Atoms | 28 |
| Complexity | 964.7698 |
Chemical Identifiers
| CAS Number | 107761-26-2 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)CSC2=CC=C(C=C2)[N+](=O)[O-])/C=C(\C#N)/C(=O)N |
Product Overview
RefChem:1064452 (CAS 107761-26-2), with molecular formula C19H17N3O5S and molecular weight 399.09 g/mol. IUPAC: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(4-nitrophenyl)sulfanylmethyl]phenyl]prop-2-enamide.
Chemical Property Profile of RefChem:1064452
Property Insights of RefChem:1064452
The XLogP value of 3.38368 indicates that RefChem:1064452 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.48 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064452. Following Lipinski's Rule of Five, RefChem:1064452 has 2 hydrogen bond donor(s) and 7 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:1064452?
The CAS number of RefChem:1064452 is 107761-26-2.
What is the molecular formula of RefChem:1064452?
The molecular formula of RefChem:1064452 is C19H17N3O5S.
What is the molecular weight of RefChem:1064452?
The molecular weight of RefChem:1064452 is 399.09 g/mol.
Where can I buy RefChem:1064452?
You can request a quote for RefChem:1064452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064452?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.