TL;DR: ME 3229 (CAS 165949-40-6) is a chemical compound with molecular formula C28H36N2O8S and molecular weight 560.21924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 2-[2-(2-butoxy-2-oxoethoxy)-4-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)acetyl]phenoxy]acetate
Also Known As: ME 3229, SID:53788431, J1.434.285K, [[4-[[[(4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-yl)carbonyl]amino]acetyl]-o-phenylene]bisoxy]di(acetic acid butyl) ester, 1,1'-DIBUTYL 2,2'-((4-((((4,5,6,7-TETRAHYDROTHIENO(3,2-C)PYRIDIN-2-YL)CARBONYL)AMINO)ACETYL)-1,2-PHENYLENE)BIS(OXY))BIS(ACETATE)
| Molecular Formula | C28H36N2O8S |
| Molecular Weight | 560.21924 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 560.21924 Da |
| Heavy Atoms | 39 |
| Complexity | 812.0 |
| SMILES | CCCCOC(=O)COC1=C(C=C(C=C1)C(=O)CNC(=O)C2=CC3=C(S2)CCNC3)OCC(=O)OCCCC |
| InChIKey | XGWXSBOXSZHECF-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that ME 3229 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting ME 3229 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ME 3229 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ME 3229 is 165949-40-6.
The molecular formula of ME 3229 is C28H36N2O8S.
The molecular weight of ME 3229 is 560.21924 g/mol.
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