BAS 13318869
TL;DR: BAS 13318869 (CAS 887685-61-2) is a chemical compound with molecular formula C21H22FN3O4 and molecular weight 399.16 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-propan-2-ylbenzamide
Also Known As: BAS 13318869, N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoro-N-propan-2-ylbenzamide, N-((3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-4-fluoro-N-isopropylbenzamide, N-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-fluoro-N-(propan-2-yl)benzamide
| Molecular Formula | C21H22FN3O4 |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 3.9437 |
| Topological Polar Surface Area | 77.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.15942 |
| Heavy Atoms | 29 |
| Complexity | 985.8462 |
Chemical Identifiers
| CAS Number | 887685-61-2 |
|---|---|
| SMILES | CC(C)N(CC1=NC(=NO1)C2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=C(C=C3)F |
Product Overview
BAS 13318869 (CAS 887685-61-2), with molecular formula C21H22FN3O4 and molecular weight 399.16 g/mol. IUPAC: N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoro-N-propan-2-ylbenzamide.
Chemical Property Profile of BAS 13318869
Property Insights of BAS 13318869
The XLogP value of 3.9437 indicates that BAS 13318869 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 13318869. Following Lipinski's Rule of Five, BAS 13318869 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 13318869?
The CAS number of BAS 13318869 is 887685-61-2.
What is the molecular formula of BAS 13318869?
The molecular formula of BAS 13318869 is C21H22FN3O4.
What is the molecular weight of BAS 13318869?
The molecular weight of BAS 13318869 is 399.16 g/mol.
Where can I buy BAS 13318869?
You can request a quote for BAS 13318869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13318869?
Yes, KEHONG BIO provides custom synthesis services for BAS 13318869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.