Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate
TL;DR: Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate (CAS 330556-96-2) is a chemical compound with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-pyrrolidin-1-ylpropanoylamino)benzoate
Also Known As: BAS 01508917, methyl 4-(3-(pyrrolidin-1-yl)propanamido)benzoate, methyl 4-(3-pyrrolidinylpropanoylamino)benzoate, methyl 4-{[3-(1-pyrrolidinyl)propanoyl]amino}benzoate, methyl 4-(3-pyrrolidin-1-ylpropanoylamino)benzoate
| Molecular Formula | C15H20N2O3 |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.1474 |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 330556-96-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCN2CCCC2 |
| InChIKey | PDFFGRCNRNJNKY-UHFFFAOYSA-N |
Product Overview
Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate (CAS 330556-96-2), with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol. IUPAC: methyl 4-(3-pyrrolidin-1-ylpropanoylamino)benzoate.
Chemical Property Profile of Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate
Property Insights of Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate. With a topological polar surface area (TPSA) of 58.6 Ų, Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate has 1 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-(3-pyrrolidinylpropanoylamino)benzoate?
The CAS number of Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate is 330556-96-2.
What is the molecular formula of Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate?
The molecular formula of Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate is C15H20N2O3.
What is the molecular weight of Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate?
The molecular weight of Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate is 276.15 g/mol.
Where can I buy Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate?
You can request a quote for Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-pyrrolidinylpropanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.