ChemDiv1_015517
TL;DR: ChemDiv1_015517 (CAS 451508-34-2) is a chemical compound with molecular formula C21H21BrF2N2O5S and molecular weight 530.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-[(4-bromo-2-fluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-3-carboxylate
Also Known As: ChemDiv1_015517, F0917-1253, ethyl 1-{3-[(4-bromo-2-fluorophenyl)carbamoyl]-4-fluorobenzenesulfonyl}piperidine-3-carboxylate, ethyl 1-((3-((4-bromo-2-fluorophenyl)carbamoyl)-4-fluorophenyl)sulfonyl)piperidine-3-carboxylate, ethyl 1-[3-[(4-bromo-2-fluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-3-carboxylate
| Molecular Formula | C21H21BrF2N2O5S |
|---|---|
| Molecular Weight | 530.03 g/mol |
| LogP | 3.9434 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.0323 |
| Heavy Atoms | 32 |
| Complexity | 1143.0051 |
Chemical Identifiers
| CAS Number | 451508-34-2 |
|---|---|
| SMILES | CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=C(C=C(C=C3)Br)F |
Product Overview
ChemDiv1_015517 (CAS 451508-34-2), with molecular formula C21H21BrF2N2O5S and molecular weight 530.03 g/mol. IUPAC: ethyl 1-[3-[(4-bromo-2-fluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-3-carboxylate.
Chemical Property Profile of ChemDiv1_015517
Property Insights of ChemDiv1_015517
The XLogP value of 3.9434 indicates that ChemDiv1_015517 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_015517. Following Lipinski's Rule of Five, ChemDiv1_015517 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_015517?
The CAS number of ChemDiv1_015517 is 451508-34-2.
What is the molecular formula of ChemDiv1_015517?
The molecular formula of ChemDiv1_015517 is C21H21BrF2N2O5S.
What is the molecular weight of ChemDiv1_015517?
The molecular weight of ChemDiv1_015517 is 530.03 g/mol.
Where can I buy ChemDiv1_015517?
You can request a quote for ChemDiv1_015517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_015517?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_015517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.