MixCom6_002315
TL;DR: MixCom6_002315 (CAS 5954-79-0) is a chemical compound with molecular formula C18H22ClN3O3 and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
Also Known As: MixCom6_002315, BAS 01296582, BIM-0047366.P001, 4-Acetyl-5-(4-chlorophenyl)-3-hydroxy-1-[2-(piperazin-1-yl)ethyl]-1,5-dihydro-2H-pyrrol-2-one, 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
| Molecular Formula | C18H22ClN3O3 |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 1.5296 |
| Topological Polar Surface Area | 72.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.13498 |
| Heavy Atoms | 25 |
| Complexity | 696.02277 |
Chemical Identifiers
| CAS Number | 5954-79-0 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Cl)CCN3CCNCC3)O |
Product Overview
MixCom6_002315 (CAS 5954-79-0), with molecular formula C18H22ClN3O3 and molecular weight 363.13 g/mol. IUPAC: 3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one.
Chemical Property Profile of MixCom6_002315
Property Insights of MixCom6_002315
The XLogP value of 1.5296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_002315. The TPSA of 72.88 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_002315. Following Lipinski's Rule of Five, MixCom6_002315 has 2 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 MixCom6_002315?
The CAS number of MixCom6_002315 is 5954-79-0.
What is the molecular formula of MixCom6_002315?
The molecular formula of MixCom6_002315 is C18H22ClN3O3.
What is the molecular weight of MixCom6_002315?
The molecular weight of MixCom6_002315 is 363.13 g/mol.
Where can I buy MixCom6_002315?
You can request a quote for MixCom6_002315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_002315?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_002315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.