A3689/0156511
TL;DR: A3689/0156511 (CAS 704876-58-4) is a chemical compound with molecular formula C21H23N3O6 and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3689/0156511, 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide, 3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide, N-(3,4-dimethoxyphenethyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide, IJJ
| Molecular Formula | C21H23N3O6 |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 2.7435 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.1587 |
| Heavy Atoms | 30 |
| Complexity | 1017.7263 |
Chemical Identifiers
| CAS Number | 704876-58-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)OC |
Product Overview
A3689/0156511 (CAS 704876-58-4), with molecular formula C21H23N3O6 and molecular weight 413.16 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of A3689/0156511
Property Insights of A3689/0156511
The XLogP value of 2.7435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3689/0156511. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for A3689/0156511. Following Lipinski's Rule of Five, A3689/0156511 has 1 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 A3689/0156511?
The CAS number of A3689/0156511 is 704876-58-4.
What is the molecular formula of A3689/0156511?
The molecular formula of A3689/0156511 is C21H23N3O6.
What is the molecular weight of A3689/0156511?
The molecular weight of A3689/0156511 is 413.16 g/mol.
Where can I buy A3689/0156511?
You can request a quote for A3689/0156511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3689/0156511?
Yes, KEHONG BIO provides custom synthesis services for A3689/0156511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.