tert-Butyl alanylleucinate
TL;DR: tert-Butyl alanylleucinate (CAS 61878-31-7) is a chemical compound with molecular formula C13H26N2O3 and molecular weight 258.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-(2-aminopropanoylamino)-4-methylpentanoate
Also Known As: tert-Butyl alanylleucinate, tert-butyl 2-(2-aminopropanoylamino)-4-methylpentanoate, L-Leucine, L-alanyl-,1,1-dimethylethyl ester (9CI), TERT-BUTYL 2-(2-AMINOPROPANOYLAMINO)-4-METHYL-PENTANOATE
| Molecular Formula | C13H26N2O3 |
|---|---|
| Molecular Weight | 258.19 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 258.19434 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 61878-31-7 |
|---|---|
| SMILES | CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(C)N |
| InChIKey | MXDWBAYBLVBWAW-UHFFFAOYSA-N |
Product Overview
tert-Butyl alanylleucinate (CAS 61878-31-7), with molecular formula C13H26N2O3 and molecular weight 258.19 g/mol. IUPAC: tert-butyl 2-(2-aminopropanoylamino)-4-methylpentanoate.
Chemical Property Profile of tert-Butyl alanylleucinate
Property Insights of tert-Butyl alanylleucinate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl alanylleucinate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl alanylleucinate. Following Lipinski's Rule of Five, tert-Butyl alanylleucinate has 2 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 tert-Butyl alanylleucinate?
The CAS number of tert-Butyl alanylleucinate is 61878-31-7.
What is the molecular formula of tert-Butyl alanylleucinate?
The molecular formula of tert-Butyl alanylleucinate is C13H26N2O3.
What is the molecular weight of tert-Butyl alanylleucinate?
The molecular weight of tert-Butyl alanylleucinate is 258.19 g/mol.
Where can I buy tert-Butyl alanylleucinate?
You can request a quote for tert-Butyl alanylleucinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl alanylleucinate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl alanylleucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.