ML120 Analog
TL;DR: ML120 Analog (CAS 445426-74-4) is a chemical compound with molecular formula C26H23ClN2O6S and molecular weight 526.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[5-(4-chlorophenyl)-7-methyl-3-oxo-6-propan-2-yloxycarbonyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
Also Known As: ML120 Analog, AN-648/15597772, 2-[4-[[5-(4-chlorophenyl)-7-methyl-3-oxo-6-[oxo(propan-2-yloxy)methyl]-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid, 2-[4-[[5-(4-chlorophenyl)-7-methyl-3-oxo-6-propan-2-yloxycarbonyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid, 2-(4-((5-(4-Chlorophenyl)-6-(isopropoxycarbonyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl)phenoxy)acetic acid
| Molecular Formula | C26H23ClN2O6S |
|---|---|
| Molecular Weight | 526.10 g/mol |
| LogP | 3.3036 |
| Topological Polar Surface Area | 107.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.09656 |
| Heavy Atoms | 36 |
| Complexity | 1518.2959 |
Chemical Identifiers
| CAS Number | 445426-74-4 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)O)SC2=N1)C4=CC=C(C=C4)Cl)C(=O)OC(C)C |
Product Overview
ML120 Analog (CAS 445426-74-4), with molecular formula C26H23ClN2O6S and molecular weight 526.10 g/mol. IUPAC: 2-[4-[[5-(4-chlorophenyl)-7-methyl-3-oxo-6-propan-2-yloxycarbonyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of ML120 Analog
Property Insights of ML120 Analog
The XLogP value of 3.3036 indicates that ML120 Analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ML120 Analog. Following Lipinski's Rule of Five, ML120 Analog has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ML120 Analog?
The CAS number of ML120 Analog is 445426-74-4.
What is the molecular formula of ML120 Analog?
The molecular formula of ML120 Analog is C26H23ClN2O6S.
What is the molecular weight of ML120 Analog?
The molecular weight of ML120 Analog is 526.10 g/mol.
Where can I buy ML120 Analog?
You can request a quote for ML120 Analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML120 Analog?
Yes, KEHONG BIO provides custom synthesis services for ML120 Analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.