tert-Butyl 2-methylalaninate
TL;DR: tert-Butyl 2-methylalaninate (CAS 84758-81-6) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-amino-2-methylpropanoate
Also Known As: H-Aib-OtBu, tert-Butyl 2-amino-2-methylpropanoate, H-Aib-OtBu.HCl, 2-Aminoisobutyric acid t-butyl ester, H-Aib-OtBu HCl
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 1.0654 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 150.45544 |
Chemical Identifiers
| CAS Number | 84758-81-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C)(C)N |
Product Overview
tert-Butyl 2-methylalaninate (CAS 84758-81-6), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: tert-butyl 2-amino-2-methylpropanoate.
Chemical Property Profile of tert-Butyl 2-methylalaninate
Property Insights of tert-Butyl 2-methylalaninate
The XLogP value of 1.0654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-methylalaninate. With a topological polar surface area (TPSA) of 52.32 Ų, tert-Butyl 2-methylalaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-methylalaninate has 1 hydrogen bond donor(s) and 3 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-methylalaninate?
The CAS number of tert-Butyl 2-methylalaninate is 84758-81-6.
What is the molecular formula of tert-Butyl 2-methylalaninate?
The molecular formula of tert-Butyl 2-methylalaninate is C8H17NO2.
What is the molecular weight of tert-Butyl 2-methylalaninate?
The molecular weight of tert-Butyl 2-methylalaninate is 159.13 g/mol.
Where can I buy tert-Butyl 2-methylalaninate?
You can request a quote for tert-Butyl 2-methylalaninate 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-methylalaninate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-methylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.