N-tert-Butoxycarbonyl-D-valine methyl ester
TL;DR: N-tert-Butoxycarbonyl-D-valine methyl ester (CAS 59279-58-2) is a chemical compound with molecular formula C11H21NO4 and molecular weight 231.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: Boc-Val-OMe, Boc-D-Val-Ome, D-Boc valine methyl ester, N-Boc-D-valine methyl ester, N-(tert-Butoxycarbonyl)-L-valine methyl ester
| Molecular Formula | C11H21NO4 |
|---|---|
| Molecular Weight | 231.15 g/mol |
| LogP | 1.7087 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.14706 |
| Heavy Atoms | 16 |
| Complexity | 255.20041 |
Chemical Identifiers
| CAS Number | 59279-58-2 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)OC(C)(C)C |
Product Overview
N-tert-Butoxycarbonyl-D-valine methyl ester (CAS 59279-58-2), with molecular formula C11H21NO4 and molecular weight 231.15 g/mol. IUPAC: methyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Chemical Property Profile of N-tert-Butoxycarbonyl-D-valine methyl ester
Property Insights of N-tert-Butoxycarbonyl-D-valine methyl ester
The XLogP value of 1.7087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-Butoxycarbonyl-D-valine methyl ester. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-Butoxycarbonyl-D-valine methyl ester. Following Lipinski's Rule of Five, N-tert-Butoxycarbonyl-D-valine methyl ester has 1 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 N-tert-Butoxycarbonyl-D-valine methyl ester?
The CAS number of N-tert-Butoxycarbonyl-D-valine methyl ester is 59279-58-2.
What is the molecular formula of N-tert-Butoxycarbonyl-D-valine methyl ester?
The molecular formula of N-tert-Butoxycarbonyl-D-valine methyl ester is C11H21NO4.
What is the molecular weight of N-tert-Butoxycarbonyl-D-valine methyl ester?
The molecular weight of N-tert-Butoxycarbonyl-D-valine methyl ester is 231.15 g/mol.
Where can I buy N-tert-Butoxycarbonyl-D-valine methyl ester?
You can request a quote for N-tert-Butoxycarbonyl-D-valine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butoxycarbonyl-D-valine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butoxycarbonyl-D-valine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.