4-tert-Butyl 1-methyl aspartate
TL;DR: 4-tert-Butyl 1-methyl aspartate (CAS 84907-98-2) is a chemical compound with molecular formula C9H17NO4 and molecular weight 203.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-tert-butyl 1-O-methyl 2-aminobutanedioate
Also Known As: H-Asp(OtBu)-OMe, 4-tert-Butyl 1-methyl aspartate, Methyl Tert-butyl 2-aminobutanedioate, 4-tert-butyl 1-methyl 2-aminobutanedioate, (r)-4-tert-butyl 1-methyl 2-aminosuccinate
| Molecular Formula | C9H17NO4 |
|---|---|
| Molecular Weight | 203.12 g/mol |
| LogP | 0.2185 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.11575 |
| Heavy Atoms | 14 |
| Complexity | 219.34207 |
Chemical Identifiers
| CAS Number | 84907-98-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(C(=O)OC)N |
Product Overview
4-tert-Butyl 1-methyl aspartate (CAS 84907-98-2), with molecular formula C9H17NO4 and molecular weight 203.12 g/mol. IUPAC: 4-O-tert-butyl 1-O-methyl 2-aminobutanedioate.
Chemical Property Profile of 4-tert-Butyl 1-methyl aspartate
Property Insights of 4-tert-Butyl 1-methyl aspartate
The XLogP value of 0.2185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butyl 1-methyl aspartate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butyl 1-methyl aspartate. Following Lipinski's Rule of Five, 4-tert-Butyl 1-methyl aspartate has 1 hydrogen bond donor(s) and 5 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 4-tert-Butyl 1-methyl aspartate?
The CAS number of 4-tert-Butyl 1-methyl aspartate is 84907-98-2.
What is the molecular formula of 4-tert-Butyl 1-methyl aspartate?
The molecular formula of 4-tert-Butyl 1-methyl aspartate is C9H17NO4.
What is the molecular weight of 4-tert-Butyl 1-methyl aspartate?
The molecular weight of 4-tert-Butyl 1-methyl aspartate is 203.12 g/mol.
Where can I buy 4-tert-Butyl 1-methyl aspartate?
You can request a quote for 4-tert-Butyl 1-methyl aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl 1-methyl aspartate?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl 1-methyl aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.