CDS1_004383
TL;DR: CDS1_004383 (CAS 331949-45-2) is a chemical compound with molecular formula C17H10Cl2N4O3 and molecular weight 388.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
Also Known As: CDS1_004383, BIM-0023753.P001, (E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one, (E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one, 1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)-2-propen-1-one
| Molecular Formula | C17H10Cl2N4O3 |
|---|---|
| Molecular Weight | 388.01 g/mol |
| LogP | 4.3741 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.013 |
| Heavy Atoms | 26 |
| Complexity | 999.3573 |
Chemical Identifiers
| CAS Number | 331949-45-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C(=O)C2=C(C=C(C=C2)Cl)Cl)/N3C=NC=N3)[N+](=O)[O-] |
Product Overview
CDS1_004383 (CAS 331949-45-2), with molecular formula C17H10Cl2N4O3 and molecular weight 388.01 g/mol. IUPAC: (E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one.
Chemical Property Profile of CDS1_004383
Property Insights of CDS1_004383
The XLogP value of 4.3741 indicates that CDS1_004383 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_004383. Following Lipinski's Rule of Five, CDS1_004383 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 CDS1_004383?
The CAS number of CDS1_004383 is 331949-45-2.
What is the molecular formula of CDS1_004383?
The molecular formula of CDS1_004383 is C17H10Cl2N4O3.
What is the molecular weight of CDS1_004383?
The molecular weight of CDS1_004383 is 388.01 g/mol.
Where can I buy CDS1_004383?
You can request a quote for CDS1_004383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004383?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.