Methyl N,N-dibutyl-beta-alaninate
TL;DR: Methyl N,N-dibutyl-beta-alaninate (CAS 53280-20-9) is a chemical compound with molecular formula C12H25NO2 and molecular weight 215.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(dibutylamino)propanoate
Also Known As: methyl 3-(dibutylamino)propanoate, Methyl N,N-dibutyl-beta-alaninate, methyl n,n-dibutyl-, A-alaninate, methylN,N-dibutyl-beta-alaninate
| Molecular Formula | C12H25NO2 |
|---|---|
| Molecular Weight | 215.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 215.18852 |
| Heavy Atoms | 15 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 53280-20-9 |
|---|---|
| SMILES | CCCCN(CCCC)CCC(=O)OC |
| InChIKey | OTMLJGIEQPAZPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N,N-dibutyl-beta-alaninate (CAS 53280-20-9), with molecular formula C12H25NO2 and molecular weight 215.19 g/mol. IUPAC: methyl 3-(dibutylamino)propanoate.
Chemical Property Profile of Methyl N,N-dibutyl-beta-alaninate
Property Insights of Methyl N,N-dibutyl-beta-alaninate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N,N-dibutyl-beta-alaninate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl N,N-dibutyl-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N,N-dibutyl-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
Frequently Asked Questions
What is the CAS number of Methyl N,N-dibutyl-beta-alaninate?
The CAS number of Methyl N,N-dibutyl-beta-alaninate is 53280-20-9.
What is the molecular formula of Methyl N,N-dibutyl-beta-alaninate?
The molecular formula of Methyl N,N-dibutyl-beta-alaninate is C12H25NO2.
What is the molecular weight of Methyl N,N-dibutyl-beta-alaninate?
The molecular weight of Methyl N,N-dibutyl-beta-alaninate is 215.19 g/mol.
Where can I buy Methyl N,N-dibutyl-beta-alaninate?
You can request a quote for Methyl N,N-dibutyl-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N,N-dibutyl-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N,N-dibutyl-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.