4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate
TL;DR: 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate (CAS 378783-32-5) is a chemical compound with molecular formula C11H19NO4 and molecular weight 229.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-tert-butyl 1-O-prop-2-enyl (2S)-2-aminobutanedioate
Also Known As: 1-allyl 4-tert-butyl 2-aminosuccinate, 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate, L-Aspartic acid 1-allyl 4-tert-butyl ester, J1.585.421I, Prop-2-enyl Tert-butyl (2S)-2-aminobutanedioate
| Molecular Formula | C11H19NO4 |
|---|---|
| Molecular Weight | 229.13 g/mol |
| LogP | 0.7747 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.13141 |
| Heavy Atoms | 16 |
| Complexity | 267.64835 |
Chemical Identifiers
| CAS Number | 378783-32-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C[C@@H](C(=O)OCC=C)N |
Product Overview
4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate (CAS 378783-32-5), with molecular formula C11H19NO4 and molecular weight 229.13 g/mol. IUPAC: 4-O-tert-butyl 1-O-prop-2-enyl (2S)-2-aminobutanedioate.
Chemical Property Profile of 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate
Property Insights of 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate
The XLogP value of 0.7747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate. Following Lipinski's Rule of Five, 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate 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-prop-2-en-1-yl (2S)-2-aminobutanedioate?
The CAS number of 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate is 378783-32-5.
What is the molecular formula of 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate?
The molecular formula of 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate is C11H19NO4.
What is the molecular weight of 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate?
The molecular weight of 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate is 229.13 g/mol.
Where can I buy 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate?
You can request a quote for 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate 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-prop-2-en-1-yl (2S)-2-aminobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl 1-prop-2-en-1-yl (2S)-2-aminobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.