![(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester structure](/static/products/958/958951-40-1.png)
(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester
TL;DR: (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester (CAS 958951-40-1) is a chemical compound with molecular formula C17H25N3O3 and molecular weight 319.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]propanoate
Also Known As: (S)-methyl 2-(3-(1-benzylpiperidin-4-yl)ureido)propanoate, methyl (2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]propanoate, (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester
| Molecular Formula | C17H25N3O3 |
|---|---|
| Molecular Weight | 319.19 g/mol |
| LogP | 1.5117 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1896 |
| Heavy Atoms | 23 |
| Complexity | 513.0747 |
Chemical Identifiers
| CAS Number | 958951-40-1 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)NC(=O)NC1CCN(CC1)CC2=CC=CC=C2 |
Product Overview
(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester (CAS 958951-40-1), with molecular formula C17H25N3O3 and molecular weight 319.19 g/mol. IUPAC: methyl (2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]propanoate.
Chemical Property Profile of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester
Property Insights of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester
The XLogP value of 1.5117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester. Following Lipinski's Rule of Five, (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester has 2 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 (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester?
The CAS number of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester is 958951-40-1.
What is the molecular formula of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester?
The molecular formula of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester is C17H25N3O3.
What is the molecular weight of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester?
The molecular weight of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester is 319.19 g/mol.
Where can I buy (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester?
You can request a quote for (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.