![tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate structure](/static/products/5658/5658-13-9.webp)
tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate
TL;DR: tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate (CAS 5658-13-9) is a chemical compound with molecular formula C21H32N2O6 and molecular weight 408.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate
Also Known As: tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate, tert-butyl N-[(benzyloxy)carbonyl]threonylvalinate, valine, n-[(phenylmethoxy)carbonyl]threonyl-, 1,1-dimethylethyl ester, 2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-(1-tert-butoxy-3-methyl-1-oxobutan-2-yl)-3-hydroxybutanimidic acid
| Molecular Formula | C21H32N2O6 |
|---|---|
| Molecular Weight | 408.23 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 408.22604 |
| Heavy Atoms | 29 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 5658-13-9 |
|---|---|
| SMILES | CC(C)C(C(=O)OC(C)(C)C)NC(=O)C(C(C)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | IXQZHLJZTKESMF-UHFFFAOYSA-N |
Product Overview
tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate (CAS 5658-13-9), with molecular formula C21H32N2O6 and molecular weight 408.23 g/mol. IUPAC: tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate.
Chemical Property Profile of tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate
Property Insights of tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate. Following Lipinski's Rule of Five, tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate has 3 hydrogen bond donor(s) and 6 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 tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate?
The CAS number of tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate is 5658-13-9.
What is the molecular formula of tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate?
The molecular formula of tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate is C21H32N2O6.
What is the molecular weight of tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate?
The molecular weight of tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate is 408.23 g/mol.
Where can I buy tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate?
You can request a quote for tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.