ChemDiv1_007244
TL;DR: ChemDiv1_007244 (CAS 361199-87-3) is a chemical compound with molecular formula C21H23Cl2N3O5S and molecular weight 499.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]piperazine-1-carboxylate
Also Known As: ChemDiv1_007244, AO-081/40670843, ethyl 4-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]piperazine-1-carboxylate, ethyl 4-[N-(2,3-dichlorophenyl)-N-(phenylsulfonyl)glycyl]piperazine-1-carboxylate, ethyl 4-(2-(N-(2,3-dichlorophenyl)phenylsulfonamido)acetyl)piperazine-1-carboxylate
| Molecular Formula | C21H23Cl2N3O5S |
|---|---|
| Molecular Weight | 499.07 g/mol |
| LogP | 3.4894 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.07355 |
| Heavy Atoms | 32 |
| Complexity | 1074.0977 |
Chemical Identifiers
| CAS Number | 361199-87-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN(C2=C(C(=CC=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
ChemDiv1_007244 (CAS 361199-87-3), with molecular formula C21H23Cl2N3O5S and molecular weight 499.07 g/mol. IUPAC: ethyl 4-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_007244
Property Insights of ChemDiv1_007244
The XLogP value of 3.4894 indicates that ChemDiv1_007244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007244. Following Lipinski's Rule of Five, ChemDiv1_007244 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_007244?
The CAS number of ChemDiv1_007244 is 361199-87-3.
What is the molecular formula of ChemDiv1_007244?
The molecular formula of ChemDiv1_007244 is C21H23Cl2N3O5S.
What is the molecular weight of ChemDiv1_007244?
The molecular weight of ChemDiv1_007244 is 499.07 g/mol.
Where can I buy ChemDiv1_007244?
You can request a quote for ChemDiv1_007244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007244?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.