beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester
TL;DR: beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester (CAS 71042-71-2) is a chemical compound with molecular formula C17H33NO5 and molecular weight 331.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-[(3-butoxy-3-oxopropyl)-(3-hydroxypropyl)amino]propanoate
Also Known As: Dibutyl N-(3-hydroxypropyl)imino-3,3'-dipropionate, beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester, .beta.-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester, Dibutyl 3,3'-[(3-hydroxypropyl)azanediyl]dipropanoate, dibutyl 3,3'-[(3-hydroxypropyl)imino]dipropanoate(non-preferred name)
| Molecular Formula | C17H33NO5 |
|---|---|
| Molecular Weight | 331.24 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 331.23587 |
| Heavy Atoms | 23 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 71042-71-2 |
|---|---|
| SMILES | CCCCOC(=O)CCN(CCCO)CCC(=O)OCCCC |
| InChIKey | ANVCGYUJBUYFDC-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester (CAS 71042-71-2), with molecular formula C17H33NO5 and molecular weight 331.24 g/mol. IUPAC: butyl 3-[(3-butoxy-3-oxopropyl)-(3-hydroxypropyl)amino]propanoate.
Chemical Property Profile of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester
Property Insights of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester?
The CAS number of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester is 71042-71-2.
What is the molecular formula of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester?
The molecular formula of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester is C17H33NO5.
What is the molecular weight of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester?
The molecular weight of beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester is 331.24 g/mol.
Where can I buy beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester?
You can request a quote for beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.