ML180
TL;DR: ML180 (CAS 863588-32-3) is a chemical compound with molecular formula C20H25ClN4O2 and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(3-chlorophenyl)piperazin-1-yl]-3-cyclohexyl-1H-pyrimidine-2,4-dione
Also Known As: ML180, EX-A4974, ML 180, 6-[4-(3-Chlorophenyl)piperazin-1-yl]-3-cyclohexyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-[4-(3-chlorophenyl)-1-piperazinyl]-3-cyclohexyl-1H-pyrimidine-2,4-dione
| Molecular Formula | C20H25ClN4O2 |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | 3.0218 |
| Topological Polar Surface Area | 61.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.1666 |
| Heavy Atoms | 27 |
| Complexity | 877.4331 |
Chemical Identifiers
| CAS Number | 863588-32-3 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
ML180 (CAS 863588-32-3), with molecular formula C20H25ClN4O2 and molecular weight 388.17 g/mol. IUPAC: 6-[4-(3-chlorophenyl)piperazin-1-yl]-3-cyclohexyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of ML180
Property Insights of ML180
The XLogP value of 3.0218 indicates that ML180 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ML180. Following Lipinski's Rule of Five, ML180 has 1 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 ML180?
The CAS number of ML180 is 863588-32-3.
What is the molecular formula of ML180?
The molecular formula of ML180 is C20H25ClN4O2.
What is the molecular weight of ML180?
The molecular weight of ML180 is 388.17 g/mol.
Where can I buy ML180?
You can request a quote for ML180 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML180?
Yes, KEHONG BIO provides custom synthesis services for ML180 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.