CDS1_004545
TL;DR: CDS1_004545 (CAS 332115-37-4) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Also Known As: CDS1_004545, BAS 01128373, A2374/0100372, (E)-N-(3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)thiophene-2-carboxamide, N-[(1E)-3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.2012 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 902.41724 |
Chemical Identifiers
| CAS Number | 332115-37-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CS3 |
Product Overview
CDS1_004545 (CAS 332115-37-4), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: N-[(E)-3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide.
Chemical Property Profile of CDS1_004545
Property Insights of CDS1_004545
The XLogP value of 2.2012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CDS1_004545. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_004545. Following Lipinski's Rule of Five, CDS1_004545 has 1 hydrogen bond donor(s) and 6 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 CDS1_004545?
The CAS number of CDS1_004545 is 332115-37-4.
What is the molecular formula of CDS1_004545?
The molecular formula of CDS1_004545 is C19H20N4O4S.
What is the molecular weight of CDS1_004545?
The molecular weight of CDS1_004545 is 400.12 g/mol.
Where can I buy CDS1_004545?
You can request a quote for CDS1_004545 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004545?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004545 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.