C20H17BrClNO4
TL;DR: C20H17BrClNO4 (CAS 345367-43-3) is a chemical compound with molecular formula C20H17BrClNO4 and molecular weight 449.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: 2-(4-bromophenyl)-2-oxoethyl 1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate, [2-(4-bromophenyl)-2-oxoethyl] 1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate, 2-(4-Bromophenyl)-2-oxoethyl 1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate, [2-(4-bromophenyl)-2-oxo-ethyl] 1-(3-chloro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate
| Molecular Formula | C20H17BrClNO4 |
|---|---|
| Molecular Weight | 449.00 g/mol |
| LogP | 4.18992 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.00296 |
| Heavy Atoms | 27 |
| Complexity | 897.35474 |
Chemical Identifiers
| CAS Number | 345367-43-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)Br)Cl |
Product Overview
C20H17BrClNO4 (CAS 345367-43-3), with molecular formula C20H17BrClNO4 and molecular weight 449.00 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of C20H17BrClNO4
Property Insights of C20H17BrClNO4
The XLogP value of 4.18992 indicates that C20H17BrClNO4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H17BrClNO4. Following Lipinski's Rule of Five, C20H17BrClNO4 has 0 hydrogen bond donor(s) and 4 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 C20H17BrClNO4?
The CAS number of C20H17BrClNO4 is 345367-43-3.
What is the molecular formula of C20H17BrClNO4?
The molecular formula of C20H17BrClNO4 is C20H17BrClNO4.
What is the molecular weight of C20H17BrClNO4?
The molecular weight of C20H17BrClNO4 is 449.00 g/mol.
Where can I buy C20H17BrClNO4?
You can request a quote for C20H17BrClNO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H17BrClNO4?
Yes, KEHONG BIO provides custom synthesis services for C20H17BrClNO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.