5W-0811
TL;DR: 5W-0811 (CAS 866040-39-3) is a chemical compound with molecular formula C22H21FN2O3 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)-N-(4-fluorophenyl)propanamide
Also Known As: 5W-0811, 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(4-fluorophenyl)propanamide, 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)-N-(4-fluorophenyl)propanamide, 3-(2H-1,3-benzodioxol-5-yl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-(4-fluorophenyl)propanamide
| Molecular Formula | C22H21FN2O3 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | 4.59094 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.15363 |
| Heavy Atoms | 28 |
| Complexity | 991.6214 |
Chemical Identifiers
| CAS Number | 866040-39-3 |
|---|---|
| SMILES | CC1=CC=C(N1C(CC(=O)NC2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4)C |
Product Overview
5W-0811 (CAS 866040-39-3), with molecular formula C22H21FN2O3 and molecular weight 380.15 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)-N-(4-fluorophenyl)propanamide.
Chemical Property Profile of 5W-0811
Property Insights of 5W-0811
The XLogP value of 4.59094 indicates that 5W-0811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.49 Ų, 5W-0811 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5W-0811 has 1 hydrogen bond donor(s) and 3 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 5W-0811?
The CAS number of 5W-0811 is 866040-39-3.
What is the molecular formula of 5W-0811?
The molecular formula of 5W-0811 is C22H21FN2O3.
What is the molecular weight of 5W-0811?
The molecular weight of 5W-0811 is 380.15 g/mol.
Where can I buy 5W-0811?
You can request a quote for 5W-0811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5W-0811?
Yes, KEHONG BIO provides custom synthesis services for 5W-0811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.