Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate
TL;DR: Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate (CAS 10164-78-0) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[benzyl(2-chloroethyl)amino]propanoate
Also Known As: methyl 3-[benzyl(2-chloroethyl)amino]propanoate, methyl n-benzyl-n-(2-chloroethyl)-, A-alaninate, Methyl 3-(benzyl-(2-chloroethyl)amino)propanoate, Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate
Technical Specifications
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.1026 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 255.1026 Da |
| Heavy Atoms | 17 |
| Complexity | 217.0 |
| SMILES | COC(=O)CCN(CCCl)CC1=CC=CC=C1 |
| InChIKey | MERNVJRINBWOSM-UHFFFAOYSA-N |
Chemical Property Profile of Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate
Property Insights of Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate?
The CAS number of Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate is 10164-78-0.
What is the molecular formula of Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate?
The molecular formula of Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate is C13H18ClNO2.
What is the molecular weight of Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate?
The molecular weight of Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate is 255.1026 g/mol.
Where can I buy Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate?
You can request a quote for Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate?
Yes, CoreyChem provides custom synthesis services for Methyl N-benzyl-N-(2-chloroethyl)-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.