CDS1_004349
TL;DR: CDS1_004349 (CAS 332401-31-7) is a chemical compound with molecular formula C21H22Cl2N6O3 and molecular weight 476.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
Also Known As: CDS1_004349, BAS 00442662, BIM-0023695.P001, A1399/0062535, 4-amino-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
| Molecular Formula | C21H22Cl2N6O3 |
|---|---|
| Molecular Weight | 476.11 g/mol |
| LogP | 4.1477 |
| Topological Polar Surface Area | 118.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.11304 |
| Heavy Atoms | 32 |
| Complexity | 1114.6644 |
Chemical Identifiers
| CAS Number | 332401-31-7 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)/C=N/NC(=O)C2=NON=C2N)OCC3=C(C=C(C=C3)Cl)Cl |
Product Overview
CDS1_004349 (CAS 332401-31-7), with molecular formula C21H22Cl2N6O3 and molecular weight 476.11 g/mol. IUPAC: 4-amino-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide.
Chemical Property Profile of CDS1_004349
Property Insights of CDS1_004349
The XLogP value of 4.1477 indicates that CDS1_004349 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.87 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_004349. Following Lipinski's Rule of Five, CDS1_004349 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 CDS1_004349?
The CAS number of CDS1_004349 is 332401-31-7.
What is the molecular formula of CDS1_004349?
The molecular formula of CDS1_004349 is C21H22Cl2N6O3.
What is the molecular weight of CDS1_004349?
The molecular weight of CDS1_004349 is 476.11 g/mol.
Where can I buy CDS1_004349?
You can request a quote for CDS1_004349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004349?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.