TL;DR: M & B 6064 (CAS 15607-50-8) is a chemical compound with molecular formula C39H51NO11 and molecular weight 709.3462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;3-(diethoxymethyl)-4-octoxyaniline
Also Known As: M & B 6064, Benzaldehyde, 5-amino-2-(octyloxy)-, diethyl acetal, compd. with tartaric acid di-p-toluate, Tartaric acid, di-p-toluate, compd. with 5-amino-2-(octyloxy)benzaldehyde diethyl acetal, 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 3-(diethoxymethyl)-4-octoxyaniline, 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;3-(diethoxymethyl)-4-octoxyaniline
| Molecular Formula | C39H51NO11 |
| Molecular Weight | 709.3462 g/mol |
| XLogP | 7.30334 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 709.3462 Da |
| Heavy Atoms | 51 |
| Complexity | 802.0 |
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)C(OCC)OCC.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O |
| InChIKey | KZDIPJKKMVOBPU-UHFFFAOYSA-N |
The XLogP value of 7.30334 indicates that M & B 6064 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting M & B 6064 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, M & B 6064 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of M & B 6064 is 15607-50-8.
The molecular formula of M & B 6064 is C39H51NO11.
The molecular weight of M & B 6064 is 709.3462 g/mol.
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