![(3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid structure](/static/products/956/956766-46-4.png)
(3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid
TL;DR: (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid (CAS 956766-46-4) is a chemical compound with molecular formula C20H29ClN2O5 and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-(4-chlorophenyl)-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid
Also Known As: AB01334815-02, (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid, (3R)-3-(4-chlorophenyl)-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid, (R)-4-((S)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)-3-(4-chlorophenyl)butanoic acid
| Molecular Formula | C20H29ClN2O5 |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 3.5638 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.1765 |
| Heavy Atoms | 28 |
| Complexity | 682.8316 |
Chemical Identifiers
| CAS Number | 956766-46-4 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)NC[C@H](CC(=O)O)C1=CC=C(C=C1)Cl)NC(=O)OC(C)(C)C |
Product Overview
(3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid (CAS 956766-46-4), with molecular formula C20H29ClN2O5 and molecular weight 412.18 g/mol. IUPAC: (3R)-3-(4-chlorophenyl)-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoic acid.
Chemical Property Profile of (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid
Property Insights of (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid
The XLogP value of 3.5638 indicates that (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid. Following Lipinski's Rule of Five, (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid has 3 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 (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid?
The CAS number of (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid is 956766-46-4.
What is the molecular formula of (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid?
The molecular formula of (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid is C20H29ClN2O5.
What is the molecular weight of (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid?
The molecular weight of (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid is 412.18 g/mol.
Where can I buy (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid?
You can request a quote for (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.