MQ4W8T2SEL
TL;DR: MQ4W8T2SEL (CAS 172998-75-3) is a chemical compound with molecular formula C20H24ClNO3S and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylpentan-3-yl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate
Also Known As: UC538, NCI60_015550, Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester, Benzoic acid, 2-methyl-1-(1-methylethyl)propyl ester, 2-Chloro-5-((1-(2-methyl-furan-3-yl)-methanethioyl)-amino)-benzoic acid, 1-isopropyl-2-methyl-propyl ester
| Molecular Formula | C20H24ClNO3S |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 5.86642 |
| Topological Polar Surface Area | 51.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.11655 |
| Heavy Atoms | 26 |
| Complexity | 790.104 |
Chemical Identifiers
| CAS Number | 172998-75-3 |
|---|---|
| SMILES | CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C(C)C)C(C)C |
Product Overview
MQ4W8T2SEL (CAS 172998-75-3), with molecular formula C20H24ClNO3S and molecular weight 393.12 g/mol. IUPAC: 2,4-dimethylpentan-3-yl 2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]benzoate.
Chemical Property Profile of MQ4W8T2SEL
Property Insights of MQ4W8T2SEL
The XLogP value of 5.86642 indicates that MQ4W8T2SEL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.47 Ų, MQ4W8T2SEL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MQ4W8T2SEL has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MQ4W8T2SEL?
The CAS number of MQ4W8T2SEL is 172998-75-3.
What is the molecular formula of MQ4W8T2SEL?
The molecular formula of MQ4W8T2SEL is C20H24ClNO3S.
What is the molecular weight of MQ4W8T2SEL?
The molecular weight of MQ4W8T2SEL is 393.12 g/mol.
Where can I buy MQ4W8T2SEL?
You can request a quote for MQ4W8T2SEL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MQ4W8T2SEL?
Yes, KEHONG BIO provides custom synthesis services for MQ4W8T2SEL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.