4N-653S
TL;DR: 4N-653S (CAS 338750-11-1) is a chemical compound with molecular formula C21H16ClN3O4 and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
Also Known As: 4N-653S, 3-(2-chlorophenyl)-N-{[3-(4-methoxyphenyl)-5-isoxazolyl]methyl}-5-isoxazolecarboxamide, 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazole-5-carboxamide, 3-(2-chlorophenyl)-N-{[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl}-1,2-oxazole-5-carboxamide
| Molecular Formula | C21H16ClN3O4 |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 4.5886 |
| Topological Polar Surface Area | 90.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.08295 |
| Heavy Atoms | 29 |
| Complexity | 1134.8059 |
Chemical Identifiers
| CAS Number | 338750-11-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NOC(=C2)CNC(=O)C3=CC(=NO3)C4=CC=CC=C4Cl |
Product Overview
4N-653S (CAS 338750-11-1), with molecular formula C21H16ClN3O4 and molecular weight 409.08 g/mol. IUPAC: 3-(2-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazole-5-carboxamide.
Chemical Property Profile of 4N-653S
Property Insights of 4N-653S
The XLogP value of 4.5886 indicates that 4N-653S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4N-653S. Following Lipinski's Rule of Five, 4N-653S 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 4N-653S?
The CAS number of 4N-653S is 338750-11-1.
What is the molecular formula of 4N-653S?
The molecular formula of 4N-653S is C21H16ClN3O4.
What is the molecular weight of 4N-653S?
The molecular weight of 4N-653S is 409.08 g/mol.
Where can I buy 4N-653S?
You can request a quote for 4N-653S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-653S?
Yes, KEHONG BIO provides custom synthesis services for 4N-653S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.