Methyl n-(tert-butoxycarbonyl)-n-methylvalinate
TL;DR: Methyl n-(tert-butoxycarbonyl)-n-methylvalinate (CAS 24269-89-4) is a chemical compound with molecular formula C12H23NO4 and molecular weight 245.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
Also Known As: methyl n-(tert-butoxycarbonyl)-n-methylvalinate, Methyl 2-([(tert-butoxy)carbonyl](methyl)amino)-3-methylbutanoate, methyl 2-[tert-butoxycarbonyl(methyl)amino]-3-methyl-butanoate, methyl 3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate, D-Valine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, methyl ester
| Molecular Formula | C12H23NO4 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.1627 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 24269-89-4 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)N(C)C(=O)OC(C)(C)C |
| InChIKey | JHELVJNRWQYMIA-UHFFFAOYSA-N |
Product Overview
Methyl n-(tert-butoxycarbonyl)-n-methylvalinate (CAS 24269-89-4), with molecular formula C12H23NO4 and molecular weight 245.16 g/mol. IUPAC: methyl 3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.
Chemical Property Profile of Methyl n-(tert-butoxycarbonyl)-n-methylvalinate
Property Insights of Methyl n-(tert-butoxycarbonyl)-n-methylvalinate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl n-(tert-butoxycarbonyl)-n-methylvalinate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl n-(tert-butoxycarbonyl)-n-methylvalinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl n-(tert-butoxycarbonyl)-n-methylvalinate has 0 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 Methyl n-(tert-butoxycarbonyl)-n-methylvalinate?
The CAS number of Methyl n-(tert-butoxycarbonyl)-n-methylvalinate is 24269-89-4.
What is the molecular formula of Methyl n-(tert-butoxycarbonyl)-n-methylvalinate?
The molecular formula of Methyl n-(tert-butoxycarbonyl)-n-methylvalinate is C12H23NO4.
What is the molecular weight of Methyl n-(tert-butoxycarbonyl)-n-methylvalinate?
The molecular weight of Methyl n-(tert-butoxycarbonyl)-n-methylvalinate is 245.16 g/mol.
Where can I buy Methyl n-(tert-butoxycarbonyl)-n-methylvalinate?
You can request a quote for Methyl n-(tert-butoxycarbonyl)-n-methylvalinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl n-(tert-butoxycarbonyl)-n-methylvalinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl n-(tert-butoxycarbonyl)-n-methylvalinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.