![(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid structure](/static/products/958/958946-76-4.png)
(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid
TL;DR: (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid (CAS 958946-76-4) is a chemical compound with molecular formula C18H27N3O3 and molecular weight 333.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
Also Known As: N-[(1-benzylpiperidin-4-yl)carbamoyl]-L-valine, (S)-2-(3-(1-benzylpiperidin-4-yl)ureido)-3-methylbutanoic acid, (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid, 2-[(1-benzyl-4-piperidyl)carbamoylamino]-3-methyl-butanoic Acid, (2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
| Molecular Formula | C18H27N3O3 |
|---|---|
| Molecular Weight | 333.21 g/mol |
| LogP | 2.0594 |
| Topological Polar Surface Area | 81.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.20523 |
| Heavy Atoms | 24 |
| Complexity | 539.69977 |
Chemical Identifiers
| CAS Number | 958946-76-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)NC1CCN(CC1)CC2=CC=CC=C2 |
Product Overview
(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid (CAS 958946-76-4), with molecular formula C18H27N3O3 and molecular weight 333.21 g/mol. IUPAC: (2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid.
Chemical Property Profile of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid
Property Insights of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid
The XLogP value of 2.0594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid. The TPSA of 81.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid. Following Lipinski's Rule of Five, (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid has 3 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 (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid?
The CAS number of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid is 958946-76-4.
What is the molecular formula of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid?
The molecular formula of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid is C18H27N3O3.
What is the molecular weight of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid?
The molecular weight of (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid is 333.21 g/mol.
Where can I buy (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid?
You can request a quote for (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid 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]-3-methyl-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.