beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester
TL;DR: beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester (CAS 71042-70-1) is a chemical compound with molecular formula C17H32ClNO4 and molecular weight 349.202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 3-[(3-butoxy-3-oxopropyl)-(3-chloropropyl)amino]propanoate
Also Known As: 9,9-dimethyldecanoic acid, Dibutyl N-(3-chloropropyl)imino-3,3'-dipropionate, beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester, .beta.-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester, Dibutyl 3,3'-[(3-chloropropyl)azanediyl]dipropanoate
Technical Specifications
| Molecular Formula | C17H32ClNO4 |
| Molecular Weight | 349.202 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 349.202 Da |
| Heavy Atoms | 23 |
| Complexity | 287.0 |
| SMILES | CCCCOC(=O)CCN(CCCCl)CCC(=O)OCCCC |
| InChIKey | NLSRZAHCPQNPSJ-UHFFFAOYSA-N |
Chemical Property Profile of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester
Property Insights of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester
The XLogP value of 3.4 indicates that beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester?
The CAS number of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester is 71042-70-1.
What is the molecular formula of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester?
The molecular formula of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester is C17H32ClNO4.
What is the molecular weight of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester?
The molecular weight of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester is 349.202 g/mol.
Where can I buy beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester?
You can request a quote for beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester?
Yes, CoreyChem provides custom synthesis services for beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-chloropropyl)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.