5N-729
TL;DR: 5N-729 (CAS 478050-11-2) is a chemical compound with molecular formula C22H18Cl3NO2 and molecular weight 433.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-methylpyrrolidin-3-yl]methanone
Also Known As: 5N-729, (4-chlorophenyl){4-[5-(2,4-dichlorophenyl)-2-furyl]-1-methyltetrahydro-1H-pyrrol-3-yl}methanone, 3-(4-chlorobenzoyl)-4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-methylpyrrolidine, (4-chlorophenyl)-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-methylpyrrolidin-3-yl]methanone, (4-chlorophenyl)-[4-[5-(2,4-dichlorophenyl)-2-furyl]-1-methyl-pyrrolidin-3-yl]methanone
| Molecular Formula | C22H18Cl3NO2 |
|---|---|
| Molecular Weight | 433.04 g/mol |
| LogP | 6.4349 |
| Topological Polar Surface Area | 33.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.0403 |
| Heavy Atoms | 28 |
| Complexity | 1012.8763 |
Chemical Identifiers
| CAS Number | 478050-11-2 |
|---|---|
| SMILES | CN1CC(C(C1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
5N-729 (CAS 478050-11-2), with molecular formula C22H18Cl3NO2 and molecular weight 433.04 g/mol. IUPAC: (4-chlorophenyl)-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1-methylpyrrolidin-3-yl]methanone.
Chemical Property Profile of 5N-729
Property Insights of 5N-729
The XLogP value of 6.4349 indicates that 5N-729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.45 Ų, 5N-729 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5N-729 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5N-729?
The CAS number of 5N-729 is 478050-11-2.
What is the molecular formula of 5N-729?
The molecular formula of 5N-729 is C22H18Cl3NO2.
What is the molecular weight of 5N-729?
The molecular weight of 5N-729 is 433.04 g/mol.
Where can I buy 5N-729?
You can request a quote for 5N-729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-729?
Yes, KEHONG BIO provides custom synthesis services for 5N-729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.