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Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate
TL;DR: Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate (CAS 124045-49-4) is a chemical compound with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-4-oxobutanoate
Also Known As: Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate, methyl 4-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-4-oxobutanoate, Butanoic acid,4-[methyl[4-(1-pyrrolidinyl)-2-butyn-1-yl]amino]-4-oxo-, methyl ester, Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate #, Methyl 4-{methyl[4-(pyrrolidin-1-yl)but-2-yn-1-yl]amino}-4-oxobutanoate
| Molecular Formula | C14H22N2O3 |
|---|---|
| Molecular Weight | 266.16 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.16306 |
| Heavy Atoms | 19 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 124045-49-4 |
|---|---|
| SMILES | CN(CC#CCN1CCCC1)C(=O)CCC(=O)OC |
| InChIKey | RIVRWNPTJMEYJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate (CAS 124045-49-4), with molecular formula C14H22N2O3 and molecular weight 266.16 g/mol. IUPAC: methyl 4-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate
Property Insights of Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate. With a topological polar surface area (TPSA) of 49.9 Ų, Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate has 0 hydrogen bond donor(s) and 4 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 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate?
The CAS number of Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate is 124045-49-4.
What is the molecular formula of Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate?
The molecular formula of Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate is C14H22N2O3.
What is the molecular weight of Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate?
The molecular weight of Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate is 266.16 g/mol.
Where can I buy Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate?
You can request a quote for Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(methyl[4-(1-pyrrolidinyl)-2-butynyl]amino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.