TL;DR: Asaphan (CAS 10065-57-3) is a chemical compound with molecular formula C26H33Cl2N3O4 and molecular weight 521.1848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-phenylpropanoate
Also Known As: Asaphan, Asafan, DL,DL-Asaphan, BAS 00380203, Ethyl ester of N-acetyl-DL-sarcolysyl-L-phenylalanine
| Molecular Formula | C26H33Cl2N3O4 |
| Molecular Weight | 521.1848 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 521.1848 Da |
| Heavy Atoms | 35 |
| Complexity | 647.0 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)N(CCCl)CCCl)NC(=O)C |
| InChIKey | SPTPIOQJNAVKCR-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Asaphan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Asaphan. Following Lipinski's Rule of Five, Asaphan has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Asaphan is 10065-57-3.
The molecular formula of Asaphan is C26H33Cl2N3O4.
The molecular weight of Asaphan is 521.1848 g/mol.
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