BAS 13318870
TL;DR: BAS 13318870 (CAS 887685-63-4) is a chemical compound with molecular formula C21H20FN3O4 and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide
Also Known As: BAS 13318870, AO-022/43452810, N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide, N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-fluoro-N-(prop-2-en-1-yl)benzamide, N-allyl-N-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-4-fluorobenzamide
| Molecular Formula | C21H20FN3O4 |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 3.7213 |
| Topological Polar Surface Area | 77.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.1438 |
| Heavy Atoms | 29 |
| Complexity | 1001.4157 |
Chemical Identifiers
| CAS Number | 887685-63-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NOC(=N2)CN(CC=C)C(=O)C3=CC=C(C=C3)F)OC |
Product Overview
BAS 13318870 (CAS 887685-63-4), with molecular formula C21H20FN3O4 and molecular weight 397.14 g/mol. IUPAC: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoro-N-prop-2-enylbenzamide.
Chemical Property Profile of BAS 13318870
Property Insights of BAS 13318870
The XLogP value of 3.7213 indicates that BAS 13318870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.69 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13318870. Following Lipinski's Rule of Five, BAS 13318870 has 0 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 BAS 13318870?
The CAS number of BAS 13318870 is 887685-63-4.
What is the molecular formula of BAS 13318870?
The molecular formula of BAS 13318870 is C21H20FN3O4.
What is the molecular weight of BAS 13318870?
The molecular weight of BAS 13318870 is 397.14 g/mol.
Where can I buy BAS 13318870?
You can request a quote for BAS 13318870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13318870?
Yes, KEHONG BIO provides custom synthesis services for BAS 13318870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.