A3817/0162051
TL;DR: A3817/0162051 (CAS 727997-47-9) is a chemical compound with molecular formula C21H17ClN4O2 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-chlorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3817/0162051, N-[2-(4-chlorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide, N-[2-(4-chlorophenyl)ethyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
| Molecular Formula | C21H17ClN4O2 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 4.1532 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.104 |
| Heavy Atoms | 28 |
| Complexity | 1054.7557 |
Chemical Identifiers
| CAS Number | 727997-47-9 |
|---|---|
| SMILES | C1=CN(C=C1)C2=CC=C(C=C2)C3=NOC(=N3)C(=O)NCCC4=CC=C(C=C4)Cl |
Product Overview
A3817/0162051 (CAS 727997-47-9), with molecular formula C21H17ClN4O2 and molecular weight 392.10 g/mol. IUPAC: N-[2-(4-chlorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3817/0162051
Property Insights of A3817/0162051
The XLogP value of 4.1532 indicates that A3817/0162051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3817/0162051. Following Lipinski's Rule of Five, A3817/0162051 has 1 hydrogen bond donor(s) and 4 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 A3817/0162051?
The CAS number of A3817/0162051 is 727997-47-9.
What is the molecular formula of A3817/0162051?
The molecular formula of A3817/0162051 is C21H17ClN4O2.
What is the molecular weight of A3817/0162051?
The molecular weight of A3817/0162051 is 392.10 g/mol.
Where can I buy A3817/0162051?
You can request a quote for A3817/0162051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3817/0162051?
Yes, KEHONG BIO provides custom synthesis services for A3817/0162051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.