![N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine structure](/static/products/958/958965-72-5.png)
N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine
TL;DR: N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine (CAS 958965-72-5) is a chemical compound with molecular formula C21H37N3O6S and molecular weight 459.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]amino]butanoic acid
Also Known As: N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine, (2S)-3-methyl-2-[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]amino]butanoic acid, (S)-2-(1-((S)-2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoyl)piperidine-4-carboxamido)-3-methylbutanoic acid
| Molecular Formula | C21H37N3O6S |
|---|---|
| Molecular Weight | 459.24 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 459.2403 |
| Heavy Atoms | 31 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 958965-72-5 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1CCN(CC1)C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C |
| InChIKey | YXIJPQYJVNVKHR-HOTGVXAUSA-N |
Product Overview
N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine (CAS 958965-72-5), with molecular formula C21H37N3O6S and molecular weight 459.24 g/mol. IUPAC: (2S)-3-methyl-2-[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]amino]butanoic acid.
Chemical Property Profile of N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine
Property Insights of N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine. The TPSA of 150.0 Ų indicates high polarity, suggesting N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine has 3 hydrogen bond donor(s) and 7 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 N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine?
The CAS number of N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine is 958965-72-5.
What is the molecular formula of N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine?
The molecular formula of N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine is C21H37N3O6S.
What is the molecular weight of N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine?
The molecular weight of N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine is 459.24 g/mol.
Where can I buy N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine?
You can request a quote for N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine?
Yes, KEHONG BIO provides custom synthesis services for N-({1-[N-(tert-butoxycarbonyl)-L-methionyl]piperidin-4-yl}carbonyl)-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.