F1536-0042
TL;DR: F1536-0042 (CAS 630090-35-6) is a chemical compound with molecular formula C19H16ClN3O4 and molecular weight 385.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
Also Known As: F1536-0042, (2E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-[(E)-piperidine-1-carbonyl]prop-2-enenitrile, (E)-3-(5-(2-chloro-4-nitrophenyl)furan-2-yl)-2-(piperidine-1-carbonyl)acrylonitrile, (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
| Molecular Formula | C19H16ClN3O4 |
|---|---|
| Molecular Weight | 385.08 g/mol |
| LogP | 4.42768 |
| Topological Polar Surface Area | 100.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.08295 |
| Heavy Atoms | 27 |
| Complexity | 952.1046 |
Chemical Identifiers
| CAS Number | 630090-35-6 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)/C(=C/C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)/C#N |
Product Overview
F1536-0042 (CAS 630090-35-6), with molecular formula C19H16ClN3O4 and molecular weight 385.08 g/mol. IUPAC: (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of F1536-0042
Property Insights of F1536-0042
The XLogP value of 4.42768 indicates that F1536-0042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.38 Ų falls within the moderate polarity range, balancing permeability and solubility for F1536-0042. Following Lipinski's Rule of Five, F1536-0042 has 0 hydrogen bond donor(s) and 5 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 F1536-0042?
The CAS number of F1536-0042 is 630090-35-6.
What is the molecular formula of F1536-0042?
The molecular formula of F1536-0042 is C19H16ClN3O4.
What is the molecular weight of F1536-0042?
The molecular weight of F1536-0042 is 385.08 g/mol.
Where can I buy F1536-0042?
You can request a quote for F1536-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1536-0042?
Yes, KEHONG BIO provides custom synthesis services for F1536-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.