ML229 Analog
TL;DR: ML229 Analog (CAS 879769-48-9) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-thia-3,9,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),8,11,13,15-pentaen-2-one
Also Known As: ML229 Analog, BRD-K37127624-001-03-3, BRD-K37127624-001-05-8, 7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one, 17-[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]-7-thia-3,9,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),8,11,13,15-pentaen-2-one
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 3.1055 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 1124.8236 |
Chemical Identifiers
| CAS Number | 879769-48-9 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3C4=C2C(=O)N5CCCSC5=N4 |
Product Overview
ML229 Analog (CAS 879769-48-9), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: 17-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-thia-3,9,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),8,11,13,15-pentaen-2-one.
Chemical Property Profile of ML229 Analog
Property Insights of ML229 Analog
The XLogP value of 3.1055 indicates that ML229 Analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ML229 Analog. Following Lipinski's Rule of Five, ML229 Analog has 0 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 ML229 Analog?
The CAS number of ML229 Analog is 879769-48-9.
What is the molecular formula of ML229 Analog?
The molecular formula of ML229 Analog is C21H24N4O2S.
What is the molecular weight of ML229 Analog?
The molecular weight of ML229 Analog is 396.16 g/mol.
Where can I buy ML229 Analog?
You can request a quote for ML229 Analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML229 Analog?
Yes, KEHONG BIO provides custom synthesis services for ML229 Analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.