TL;DR: beta-Alanine, N-acetyl-, 3-(dimethoxyphosphinyl)propyl ester (CAS 132237-23-1) is a chemical compound with molecular formula C10H20NO6P and molecular weight 281.1028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-dimethoxyphosphorylpropyl 3-acetamidopropanoate
Also Known As: beta-Alanine, N-acetyl-, 3-(dimethoxyphosphinyl)propyl ester, N-Acetyl-beta-alanine 3-(dimethoxyphosphinyl)propyl ester, 3-dimethoxyphosphorylpropyl 3-acetamidopropanoate, 3-(Dimethoxyphosphoryl)propyl N-acetyl-beta-alaninate, BRN 4751051
| Molecular Formula | C10H20NO6P |
| Molecular Weight | 281.1028 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 281.1028 Da |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
| SMILES | CC(=O)NCCC(=O)OCCCP(=O)(OC)OC |
| InChIKey | VGACUBLLRYMEDM-UHFFFAOYSA-N |
The XLogP value of -1.0 indicates that beta-Alanine, N-acetyl-, 3-(dimethoxyphosphinyl)propyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-acetyl-, 3-(dimethoxyphosphinyl)propyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-acetyl-, 3-(dimethoxyphosphinyl)propyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of beta-Alanine, N-acetyl-, 3-(dimethoxyphosphinyl)propyl ester is 132237-23-1.
The molecular formula of beta-Alanine, N-acetyl-, 3-(dimethoxyphosphinyl)propyl ester is C10H20NO6P.
The molecular weight of beta-Alanine, N-acetyl-, 3-(dimethoxyphosphinyl)propyl ester is 281.1028 g/mol.
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