ML328 Analog
TL;DR: ML328 Analog (CAS 634170-73-3) is a chemical compound with molecular formula C22H24N6O3S and molecular weight 452.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(benzylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Also Known As: ML328 Analog, 2-[4-(benzylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-[4-(benzylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(4-(benzylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-{4-[(benzylamino)carbonothioyl]-1-piperazinyl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
| Molecular Formula | C22H24N6O3S |
|---|---|
| Molecular Weight | 452.16 g/mol |
| LogP | 1.7063 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.16306 |
| Heavy Atoms | 32 |
| Complexity | 1205.5068 |
Chemical Identifiers
| CAS Number | 634170-73-3 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)C(=O)O |
Product Overview
ML328 Analog (CAS 634170-73-3), with molecular formula C22H24N6O3S and molecular weight 452.16 g/mol. IUPAC: 2-[4-(benzylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
Chemical Property Profile of ML328 Analog
Property Insights of ML328 Analog
The XLogP value of 1.7063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ML328 Analog. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ML328 Analog. Following Lipinski's Rule of Five, ML328 Analog has 2 hydrogen bond donor(s) and 6 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 ML328 Analog?
The CAS number of ML328 Analog is 634170-73-3.
What is the molecular formula of ML328 Analog?
The molecular formula of ML328 Analog is C22H24N6O3S.
What is the molecular weight of ML328 Analog?
The molecular weight of ML328 Analog is 452.16 g/mol.
Where can I buy ML328 Analog?
You can request a quote for ML328 Analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML328 Analog?
Yes, KEHONG BIO provides custom synthesis services for ML328 Analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.