J2.177.985G
TL;DR: J2.177.985G (CAS 289902-64-3) is a chemical compound with molecular formula C26H36N2O4S and molecular weight 472.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3,4-dimethylphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate
Also Known As: J2.177.985G, 2-((3-(4-hydroxy-3-methoxybenzyl)thioureido)methyl)-3-(3,4-dimethylphenyl)propyl pivalate, 2-(3,4-Dimethylbenzyl)-3-(3-(4-hydroxy-3-methoxybenzyl)thioureido)propyl pivalate, [2-[(3,4-dimethylphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate, 2,2-Dimethyl-propanoic acid 3-(3,4-dimethylphenyl)-2-[[[[[(4-hydroxy-3-methoxyphenyl)methyl]amino]thioxomethyl]amino]methyl]propyl ester
| Molecular Formula | C26H36N2O4S |
|---|---|
| Molecular Weight | 472.24 g/mol |
| LogP | 4.42994 |
| Topological Polar Surface Area | 79.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.2396 |
| Heavy Atoms | 33 |
| Complexity | 969.24963 |
Chemical Identifiers
| CAS Number | 289902-64-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CC(CNC(=S)NCC2=CC(=C(C=C2)O)OC)COC(=O)C(C)(C)C)C |
Product Overview
J2.177.985G (CAS 289902-64-3), with molecular formula C26H36N2O4S and molecular weight 472.24 g/mol. IUPAC: [2-[(3,4-dimethylphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate.
Chemical Property Profile of J2.177.985G
Property Insights of J2.177.985G
The XLogP value of 4.42994 indicates that J2.177.985G is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.82 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.177.985G. Following Lipinski's Rule of Five, J2.177.985G has 3 hydrogen bond donor(s) and 5 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 J2.177.985G?
The CAS number of J2.177.985G is 289902-64-3.
What is the molecular formula of J2.177.985G?
The molecular formula of J2.177.985G is C26H36N2O4S.
What is the molecular weight of J2.177.985G?
The molecular weight of J2.177.985G is 472.24 g/mol.
Where can I buy J2.177.985G?
You can request a quote for J2.177.985G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.177.985G?
Yes, KEHONG BIO provides custom synthesis services for J2.177.985G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.